1-[2-[(2-methoxyphenyl)carbonylamino]-4-methylsulfanyl-butanoyl]-N-phenyl-piperidine-4-carboxamide

Systemtic Name: 1-[2-[(2-methoxyphenyl)carbonylamino]-4-methylsulfanyl-butanoyl]-N-phenyl-piperidine-4-carboxamide Openeye Name: 1-[2-[(2-methoxybenzoyl)amino]-4-methylsulfanyl-butanoyl]-N-phenyl-piperidine-4-carboxamide CAS Name: 1-[2-[[(2-methoxyphenyl)-oxomethyl]amino]-4-(methylthio)-1-oxobutyl]-N-phenyl-4-piperidinecarboxamide IUPAC Name: 1-[2-[(2-methoxybenzoyl)amino]-4-methylsulfanylbutanoyl]-N-phenylpiperidine-4-carboxamide Traditional Name: 1-[4-(methylthio)-2-(o-anisoylamino)butanoyl]-N-phenyl-isonipecotamide Formula: C25H31N3O4S MolecularWeight: 469.59634

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C(=O)NC(CCSC)C(=O)N2CCC(CC2)C(=O)NC3=CC=CC=C3

Isomeric SMILES

COC1=CC=CC=C1C(=O)NC(CCSC)C(=O)N2CCC(CC2)C(=O)NC3=CC=CC=C3

InChI

InChI=1S/C25H31N3O4S/c1-32-22-11-7-6-10-20(22)24(30)27-21(14-17-33-2)25(31)28-15-12-18(13-16-28)23(29)26-19-8-4-3-5-9-19/h3-11,18,21H,12-17H2,1-2H3,(H,26,29)(H,27,30)