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

Systemtic Name: 1-[2-(cyanomethylsulfanyl)ethanoyl]-N-phenyl-piperidine-3-carboxamide Openeye Name: 1-[2-(cyanomethylsulfanyl)acetyl]-N-phenyl-piperidine-3-carboxamide CAS Name: 1-[2-(cyanomethylthio)-1-oxoethyl]-N-phenyl-3-piperidinecarboxamide IUPAC Name: 1-[2-(cyanomethylsulfanyl)acetyl]-N-phenylpiperidine-3-carboxamide Traditional Name: 1-[2-(cyanomethylthio)acetyl]-N-phenyl-nipecotamide Formula: C16H19N3O2S MolecularWeight: 317.40596

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C(=O)CSCC#N)C(=O)NC2=CC=CC=C2

Isomeric SMILES

C1CC(CN(C1)C(=O)CSCC#N)C(=O)NC2=CC=CC=C2

InChI

InChI=1S/C16H19N3O2S/c17-8-10-22-12-15(20)19-9-4-5-13(11-19)16(21)18-14-6-2-1-3-7-14/h1-3,6-7,13H,4-5,9-12H2,(H,18,21)