1-[1-(4-methylphenyl)-5-oxidanylidene-pyrrolidin-3-yl]carbonyl-N-(2-phenylsulfanylphenyl)piperidine-4-carboxamide

Systemtic Name: 1-[1-(4-methylphenyl)-5-oxidanylidene-pyrrolidin-3-yl]carbonyl-N-(2-phenylsulfanylphenyl)piperidine-4-carboxamide Openeye Name: 1-[5-oxo-1-(p-tolyl)pyrrolidine-3-carbonyl]-N-(2-phenylsulfanylphenyl)piperidine-4-carboxamide CAS Name: 1-[[1-(4-methylphenyl)-5-oxo-3-pyrrolidinyl]-oxomethyl]-N-[2-(phenylthio)phenyl]-4-piperidinecarboxamide IUPAC Name: 1-[1-(4-methylphenyl)-5-oxopyrrolidine-3-carbonyl]-N-(2-phenylsulfanylphenyl)piperidine-4-carboxamide Traditional Name: 1-[5-keto-1-(p-tolyl)pyrrolidine-3-carbonyl]-N-[2-(phenylthio)phenyl]isonipecotamide Formula: C30H31N3O3S MolecularWeight: 513.65044

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2CC(CC2=O)C(=O)N3CCC(CC3)C(=O)NC4=CC=CC=C4SC5=CC=CC=C5

Isomeric SMILES

CC1=CC=C(C=C1)N2CC(CC2=O)C(=O)N3CCC(CC3)C(=O)NC4=CC=CC=C4SC5=CC=CC=C5

InChI

InChI=1S/C30H31N3O3S/c1-21-11-13-24(14-12-21)33-20-23(19-28(33)34)30(36)32-17-15-22(16-18-32)29(35)31-26-9-5-6-10-27(26)37-25-7-3-2-4-8-25/h2-14,22-23H,15-20H2,1H3,(H,31,35)