1-[2-(cyanomethylsulfanyl)phenyl]carbonyl-N-phenyl-piperidine-3-carboxamide

Systemtic Name: 1-[2-(cyanomethylsulfanyl)phenyl]carbonyl-N-phenyl-piperidine-3-carboxamide Openeye Name: 1-[2-(cyanomethylsulfanyl)benzoyl]-N-phenyl-piperidine-3-carboxamide CAS Name: 1-[[2-(cyanomethylthio)phenyl]-oxomethyl]-N-phenyl-3-piperidinecarboxamide IUPAC Name: 1-[2-(cyanomethylsulfanyl)benzoyl]-N-phenylpiperidine-3-carboxamide Traditional Name: 1-[2-(cyanomethylthio)benzoyl]-N-phenyl-nipecotamide Formula: C21H21N3O2S MolecularWeight: 379.47534

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C(=O)C2=CC=CC=C2SCC#N)C(=O)NC3=CC=CC=C3

Isomeric SMILES

C1CC(CN(C1)C(=O)C2=CC=CC=C2SCC#N)C(=O)NC3=CC=CC=C3

InChI

InChI=1S/C21H21N3O2S/c22-12-14-27-19-11-5-4-10-18(19)21(26)24-13-6-7-16(15-24)20(25)23-17-8-2-1-3-9-17/h1-5,8-11,16H,6-7,13-15H2,(H,23,25)