null
  CDK     0225161908
null
 18 20  0  0  0  0  0  0  0  0999 V2000
    5.7599    1.1720    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0454    0.7595    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3309    1.1720    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3309    1.9970    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6165    0.7595    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.9020    1.1720    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8158    1.9925    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0088    2.1641    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5963    1.4496    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1483    0.8365    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.7713    1.4496    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3588    2.1641    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7713    2.8785    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5963    2.8785    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4482    1.9925    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5344    1.1720    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2193    0.8365    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2489    0.7595    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0 
  2  3  1  0  0  0  0 
  3  4  2  0  0  0  0 
  3  5  1  0  0  0  0 
  5  6  1  0  0  0  0 
  6  7  2  0  0  0  0 
  7  8  1  0  0  0  0 
  8  9  2  0  0  0  0 
  9 10  1  0  0  0  0 
 10  6  1  0  0  0  0 
  9 11  1  0  0  0  0 
 11 12  2  0  0  0  0 
 12 13  1  0  0  0  0 
 13 14  2  0  0  0  0 
 14  8  1  0  0  0  0 
 12 15  1  0  0  0  0 
 15 16  2  0  0  0  0 
 16 17  1  0  0  0  0 
 17 11  1  0  0  0  0 
 16 18  1  0  0  0  0 
M  END
> <ID>
CHEBI:119871

> <NAME>
N-(7-methyl-2-thiazolo[4,5-g][1,3]benzothiazolyl)propanamide

> <STAR>
2

> <FORMULA>
C12H11N3OS2

> <MASS>
277.368

> <MONOISOTOPIC_MASS>
277.03435

> <CHARGE>
0

> <SMILES>
CCC(=O)NC1=NC2=C(S1)C3=C(C=C2)N=C(S3)C

> <INCHI>
InChI=1S/C12H11N3OS2/c1-3-9(16)15-12-14-8-5-4-7-10(11(8)18-12)17-6(2)13-7/h4-5H,3H2,1-2H3,(H,14,15,16)

> <INCHIKEY>
RCLVMXFRPRHIAC-UHFFFAOYSA-N

> <LINCS_ACCESSION>
LSM-31315

$$$$