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

Systemtic Name: 1-(5-oxidanylidene-1-phenyl-pyrrolidin-3-yl)carbonyl-N-(2-phenylsulfanylphenyl)piperidine-4-carboxamide Openeye Name: 1-(5-oxo-1-phenyl-pyrrolidine-3-carbonyl)-N-(2-phenylsulfanylphenyl)piperidine-4-carboxamide CAS Name: 1-[oxo-(5-oxo-1-phenyl-3-pyrrolidinyl)methyl]-N-[2-(phenylthio)phenyl]-4-piperidinecarboxamide IUPAC Name: 1-(5-oxo-1-phenylpyrrolidine-3-carbonyl)-N-(2-phenylsulfanylphenyl)piperidine-4-carboxamide Traditional Name: 1-(5-keto-1-phenyl-pyrrolidine-3-carbonyl)-N-[2-(phenylthio)phenyl]isonipecotamide Formula: C29H29N3O3S MolecularWeight: 499.62386

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)NC2=CC=CC=C2SC3=CC=CC=C3)C(=O)C4CC(=O)N(C4)C5=CC=CC=C5

Isomeric SMILES

C1CN(CCC1C(=O)NC2=CC=CC=C2SC3=CC=CC=C3)C(=O)C4CC(=O)N(C4)C5=CC=CC=C5

InChI

InChI=1S/C29H29N3O3S/c33-27-19-22(20-32(27)23-9-3-1-4-10-23)29(35)31-17-15-21(16-18-31)28(34)30-25-13-7-8-14-26(25)36-24-11-5-2-6-12-24/h1-14,21-22H,15-20H2,(H,30,34)