Mrv0541 10241312272D          

 25 28  0  0  0  0            999 V2000
    8.7364    1.7674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5649    0.9604    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1233    2.3195    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7803    0.7055    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3387    2.0645    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1672    1.2575    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6088   -0.1015    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8241   -0.3564    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3826    1.0026    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2110    0.1956    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2219   -0.6535    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0065   -0.3986    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6739   -0.8835    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    9.2614    0.3861    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3414   -0.3985    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1260   -0.6535    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.0864    0.3861    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.7391   -0.1014    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5237   -0.3564    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5675    0.7055    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.9214   -0.0593    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0929   -0.8662    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1368    0.1957    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4798   -1.4183    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6952   -1.1633    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  2  0  0  0  0
  4  2  2  0  0  0  0
  5  3  1  0  0  0  0
  6  5  2  0  0  0  0
  7  4  1  0  0  0  0
  6  4  1  0  0  0  0
  8  7  2  0  0  0  0
  9  6  1  0  0  0  0
 10  8  1  0  0  0  0
 10  9  2  0  0  0  0
  7 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  2  0  0  0  0
 13 15  1  0  0  0  0
 15 16  1  0  0  0  0
 15 17  2  0  0  0  0
 14 17  1  0  0  0  0
 16 18  1  0  0  0  0
 18 19  1  0  0  0  0
 18 20  2  0  0  0  0
 22 21  1  0  0  0  0
 23 21  1  0  0  0  0
 24 22  1  0  0  0  0
 19 23  1  0  0  0  0
 25 24  1  0  0  0  0
 25 19  1  0  0  0  0
M  END
> <ID>
CHEBI:76002

> <NAME>
N-[5-(1-naphthylmethyl)-1,3-thiazol-2-yl]cyclohexanecarboxamide

> <DEFINITION>
A monocarboxylic acid amide obtained by the formal condensation of cyclohexanecarboxylic acid with the amino group of 5-(naphthalen-1-ylmethyl)-1,3-thiazol-2-amine. It has been shown to exhibit antifungal activity.

> <STAR>
3

> <SYNONYM>
N-[5-(1-naphthylmethyl)-1,3-thiazol-2-yl]cyclohexanecarboxamide; 41F5

> <IUPAC_NAME>
N-[5-(naphthalen-1-ylmethyl)-1,3-thiazol-2-yl]cyclohexanecarboxamide

> <FORMULA>
C21H22N2OS

> <MASS>
350.47700

> <MONOISOTOPIC_MASS>
350.14528

> <CHARGE>
0

> <SMILES>
O=C(Nc1ncc(Cc2cccc3ccccc23)s1)C1CCCCC1

> <INCHI>
InChI=1S/C21H22N2OS/c24-20(16-8-2-1-3-9-16)23-21-22-14-18(25-21)13-17-11-6-10-15-7-4-5-12-19(15)17/h4-7,10-12,14,16H,1-3,8-9,13H2,(H,22,23,24)

> <INCHIKEY>
WJAMFZVSJYMDDT-UHFFFAOYSA-N

> <PUBMED_CITATION>
23817367

$$$$