1-[2-[[2-(cyanomethylsulfanyl)phenyl]amino]-2-oxidanylidene-ethyl]-N-(phenylmethyl)piperidine-4-carboxamide

Systemtic Name: 1-[2-[[2-(cyanomethylsulfanyl)phenyl]amino]-2-oxidanylidene-ethyl]-N-(phenylmethyl)piperidine-4-carboxamide Openeye Name: N-benzyl-1-[2-[2-(cyanomethylsulfanyl)anilino]-2-oxo-ethyl]piperidine-4-carboxamide CAS Name: 1-[2-[2-(cyanomethylthio)anilino]-2-oxoethyl]-N-(phenylmethyl)-4-piperidinecarboxamide IUPAC Name: N-benzyl-1-[2-[2-(cyanomethylsulfanyl)anilino]-2-oxoethyl]piperidine-4-carboxamide Traditional Name: N-benzyl-1-[2-[2-(cyanomethylthio)anilino]-2-keto-ethyl]isonipecotamide Formula: C23H26N4O2S MolecularWeight: 422.54314

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)NCC2=CC=CC=C2)CC(=O)NC3=CC=CC=C3SCC#N

Isomeric SMILES

C1CN(CCC1C(=O)NCC2=CC=CC=C2)CC(=O)NC3=CC=CC=C3SCC#N

InChI

InChI=1S/C23H26N4O2S/c24-12-15-30-21-9-5-4-8-20(21)26-22(28)17-27-13-10-19(11-14-27)23(29)25-16-18-6-2-1-3-7-18/h1-9,19H,10-11,13-17H2,(H,25,29)(H,26,28)