Marvin  07191211202D          

 17 18  0  0  0  0            999 V2000
   -3.1232    1.7089    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8377    1.2964    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8377    0.4714    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1232    0.0589    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4087    0.4714    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4087    1.2964    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6943    0.0589    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6943   -0.7661    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4087   -1.1786    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6943    2.5339    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0268    3.0190    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2817    3.8036    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1069    3.8036    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3619    3.0190    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6943    1.7089    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9503    1.2964    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9798   -1.1786    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  6  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
 10 11  2  0  0  0  0
 10 14  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
  6 15  1  0  0  0  0
 15 10  1  0  0  0  0
 15 16  2  0  0  0  0
  8 17  1  0  0  0  0
M  END
> <ID>
CHEBI:65012

> <NAME>
2-formamidophenyl-2'-thiazolylketone

> <DEFINITION>
An aromatic ketone in which the two substituents attached to the carbonyl group are 2-formamidophenyl and thiazol-2-yl.

> <STAR>
3

> <IUPAC_NAME>
N-[2-(1,3-thiazole-2-carbonyl)phenyl]formamide

> <FORMULA>
C11H8N2O2S

> <MASS>
232.25800

> <MONOISOTOPIC_MASS>
232.03065

> <CHARGE>
0

> <SMILES>
[H]C(=O)Nc1ccccc1C(=O)c1nccs1

> <INCHI>
InChI=1S/C11H8N2O2S/c14-7-13-9-4-2-1-3-8(9)10(15)11-12-5-6-16-11/h1-7H,(H,13,14)

> <INCHIKEY>
BNYPSOBOWCDICB-UHFFFAOYSA-N

> <REAXYS_REGISTRY_NUMBER>
7131694

> <PUBMED_CITATION>
19567706

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