N-(2-methylpropyl)-5-[(4-methylsulfanylphenyl)carbamoylamino]-2-[4-(phenylmethyl)piperidin-1-yl]benzamide

Systemtic Name: N-(2-methylpropyl)-5-[(4-methylsulfanylphenyl)carbamoylamino]-2-[4-(phenylmethyl)piperidin-1-yl]benzamide Openeye Name: 2-(4-benzyl-1-piperidyl)-N-isobutyl-5-[(4-methylsulfanylphenyl)carbamoylamino]benzamide CAS Name: N-(2-methylpropyl)-5-[[[4-(methylthio)anilino]-oxomethyl]amino]-2-[4-(phenylmethyl)-1-piperidinyl]benzamide IUPAC Name: 2-(4-benzylpiperidin-1-yl)-N-(2-methylpropyl)-5-[(4-methylsulfanylphenyl)carbamoylamino]benzamide Traditional Name: 2-(4-benzylpiperidino)-N-isobutyl-5-[[4-(methylthio)phenyl]carbamoylamino]benzamide Formula: C31H38N4O2S MolecularWeight: 530.72402

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CNC(=O)C1=C(C=CC(=C1)NC(=O)NC2=CC=C(C=C2)SC)N3CCC(CC3)CC4=CC=CC=C4

Isomeric SMILES

CC(C)CNC(=O)C1=C(C=CC(=C1)NC(=O)NC2=CC=C(C=C2)SC)N3CCC(CC3)CC4=CC=CC=C4

InChI

InChI=1S/C31H38N4O2S/c1-22(2)21-32-30(36)28-20-26(34-31(37)33-25-9-12-27(38-3)13-10-25)11-14-29(28)35-17-15-24(16-18-35)19-23-7-5-4-6-8-23/h4-14,20,22,24H,15-19,21H2,1-3H3,(H,32,36)(H2,33,34,37)