null
  CDK     0225161908
null
 24 26  0  0  0  0  0  0  0  0999 V2000
   -5.1080    6.8277    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3935    7.2402    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6791    6.8277    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9646    7.2402    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2501    6.8277    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2501    6.0027    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9646    5.5902    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6791    6.0027    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5356    5.5902    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8212    6.0027    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8212    6.8277    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1067    5.5902    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6078    6.0027    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3222    5.5902    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3222    4.7652    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6078    4.3527    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1067    4.7652    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0367    4.3527    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7512    4.7652    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0367    3.5277    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7041    3.0428    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4492    2.2581    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6242    2.2581    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3693    3.0428    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  2  0  0  0  0 
  4  5  1  0  0  0  0 
  5  6  2  0  0  0  0 
  6  7  1  0  0  0  0 
  7  8  2  0  0  0  0 
  8  3  1  0  0  0  0 
  6  9  1  0  0  0  0 
  9 10  1  0  0  0  0 
 10 11  2  0  0  0  0 
 10 12  1  0  0  0  0 
 12 13  1  0  0  0  0 
 13 14  1  0  0  0  0 
 14 15  1  0  0  0  0 
 15 16  1  0  0  0  0 
 16 17  1  0  0  0  0 
 17 12  1  0  0  0  0 
 15 18  1  0  0  0  0 
 18 19  2  0  0  0  0 
 18 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 24  1  0  0  0  0 
 24 20  1  0  0  0  0 
M  END
> <ID>
CHEBI:120874

> <NAME>
N-(4-methoxyphenyl)-1-[oxo(thiophen-2-yl)methyl]-4-piperidinecarboxamide

> <STAR>
2

> <FORMULA>
C18H20N2O3S

> <MASS>
344.430

> <MONOISOTOPIC_MASS>
344.11946

> <CHARGE>
0

> <SMILES>
COC1=CC=C(C=C1)NC(=O)C2CCN(CC2)C(=O)C3=CC=CS3

> <INCHI>
InChI=1S/C18H20N2O3S/c1-23-15-6-4-14(5-7-15)19-17(21)13-8-10-20(11-9-13)18(22)16-3-2-12-24-16/h2-7,12-13H,8-11H2,1H3,(H,19,21)

> <INCHIKEY>
JIRLSPOFPGTGNG-UHFFFAOYSA-N

> <LINCS_ACCESSION>
LSM-32317

$$$$