2-methoxy-N-[4-methylsulfanyl-1-oxidanylidene-1-[4-(3-phenylpropanoylamino)piperidin-1-yl]butan-2-yl]benzamide

Systemtic Name: 2-methoxy-N-[4-methylsulfanyl-1-oxidanylidene-1-[4-(3-phenylpropanoylamino)piperidin-1-yl]butan-2-yl]benzamide Openeye Name: 2-methoxy-N-[3-methylsulfanyl-1-[4-(3-phenylpropanoylamino)piperidine-1-carbonyl]propyl]benzamide CAS Name: 2-methoxy-N-[4-(methylthio)-1-oxo-1-[4-[(1-oxo-3-phenylpropyl)amino]-1-piperidinyl]butan-2-yl]benzamide IUPAC Name: 2-methoxy-N-[4-methylsulfanyl-1-oxo-1-[4-(3-phenylpropanoylamino)piperidin-1-yl]butan-2-yl]benzamide Traditional Name: N-[1-[4-(hydrocinnamoylamino)piperidine-1-carbonyl]-3-(methylthio)propyl]-2-methoxy-benzamide Formula: C27H35N3O4S MolecularWeight: 497.6495

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C(=O)NC(CCSC)C(=O)N2CCC(CC2)NC(=O)CCC3=CC=CC=C3

Isomeric SMILES

COC1=CC=CC=C1C(=O)NC(CCSC)C(=O)N2CCC(CC2)NC(=O)CCC3=CC=CC=C3

InChI

InChI=1S/C27H35N3O4S/c1-34-24-11-7-6-10-22(24)26(32)29-23(16-19-35-2)27(33)30-17-14-21(15-18-30)28-25(31)13-12-20-8-4-3-5-9-20/h3-11,21,23H,12-19H2,1-2H3,(H,28,31)(H,29,32)