null
  CDK     0225161901
null
 23 25  0  0  0  0  0  0  0  0999 V2000
   -3.2160   -6.5979    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5016   -7.0104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7871   -6.5979    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0726   -7.0104    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3581   -6.5979    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3581   -5.7729    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3563   -7.0104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0708   -6.5979    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7853   -7.0104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7853   -7.8354    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0708   -8.2479    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3563   -7.8354    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4997   -8.2479    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2534   -7.9124    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.8054   -8.5255    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3929   -9.2399    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5860   -9.0684    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.6259   -8.4392    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9615   -7.6855    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7820   -7.5993    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2669   -8.2667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9313   -9.0204    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1109   -9.1067    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0 
  2  3  1  0  0  0  0 
  3  4  1  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  2  0  0  0  0 
  8  9  1  0  0  0  0 
  9 10  2  0  0  0  0 
 10 11  1  0  0  0  0 
 11 12  2  0  0  0  0 
 12  7  1  0  0  0  0 
 10 13  1  0  0  0  0 
 13 14  2  0  0  0  0 
 14 15  1  0  0  0  0 
 15 16  2  0  0  0  0 
 16 17  1  0  0  0  0 
 17 13  1  0  0  0  0 
 15 18  1  0  0  0  0 
 18 19  2  0  0  0  0 
 19 20  1  0  0  0  0 
 20 21  2  0  0  0  0 
 21 22  1  0  0  0  0 
 22 23  2  0  0  0  0 
 23 18  1  0  0  0  0 
M  END
> <ID>
CHEBI:116681

> <NAME>
4-(4-phenyl-2-thiazolyl)-N-prop-2-enylbenzamide

> <STAR>
2

> <FORMULA>
C19H16N2OS

> <MASS>
320.410

> <MONOISOTOPIC_MASS>
320.09833

> <CHARGE>
0

> <SMILES>
C=CCNC(=O)C1=CC=C(C=C1)C2=NC(=CS2)C3=CC=CC=C3

> <INCHI>
InChI=1S/C19H16N2OS/c1-2-12-20-18(22)15-8-10-16(11-9-15)19-21-17(13-23-19)14-6-4-3-5-7-14/h2-11,13H,1,12H2,(H,20,22)

> <INCHIKEY>
IQEYRZRUHRUFEW-UHFFFAOYSA-N

> <LINCS_ACCESSION>
LSM-28136

$$$$