null
  CDK     0224162328
null
 20 22  0  0  0  0  0  0  0  0999 V2000
   -4.8946    1.0527    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1801    0.6402    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1801   -0.1848    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8946   -0.5973    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6091   -0.1848    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6091    0.6402    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3235    1.0527    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0380    0.6402    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0380   -0.1848    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.7525   -0.5973    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.4669   -0.1848    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.4669    0.6402    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.7525    1.0527    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4656   -0.5973    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7512   -0.1848    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4656   -1.4223    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7982   -1.9072    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0531   -2.6919    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8781   -2.6919    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1331   -1.9072    0.0000 S   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  1  0  0  0  0 
  4  5  1  0  0  0  0 
  5  6  1  0  0  0  0 
  6  1  1  0  0  0  0 
  6  7  1  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 11  2  0  0  0  0 
 11 12  1  0  0  0  0 
 12 13  2  0  0  0  0 
 13  8  1  0  0  0  0 
  3 14  1  0  0  0  0 
 14 15  2  0  0  0  0 
 14 16  1  0  0  0  0 
 16 17  2  0  0  0  0 
 17 18  1  0  0  0  0 
 18 19  2  0  0  0  0 
 19 20  1  0  0  0  0 
 20 16  1  0  0  0  0 
M  END
> <ID>
CHEBI:104224

> <NAME>
[4-(2-pyridinylmethyl)-1-piperazinyl]-thiophen-2-ylmethanone

> <STAR>
2

> <FORMULA>
C15H17N3OS

> <MASS>
287.382

> <MONOISOTOPIC_MASS>
287.10923

> <CHARGE>
0

> <SMILES>
C1CN(CCN1CC2=CC=CC=N2)C(=O)C3=CC=CS3

> <INCHI>
InChI=1S/C15H17N3OS/c19-15(14-5-3-11-20-14)18-9-7-17(8-10-18)12-13-4-1-2-6-16-13/h1-6,11H,7-10,12H2

> <INCHIKEY>
QOYYOLSPRGBPJY-UHFFFAOYSA-N

> <LINCS_ACCESSION>
LSM-15588

$$$$