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

Systemtic Name: 1-[2-[[2-(cyanomethylsulfanyl)phenyl]amino]-2-oxidanylidene-ethyl]-N-(2-methoxyphenyl)piperidine-4-carboxamide Openeye Name: 1-[2-[2-(cyanomethylsulfanyl)anilino]-2-oxo-ethyl]-N-(2-methoxyphenyl)piperidine-4-carboxamide CAS Name: 1-[2-[2-(cyanomethylthio)anilino]-2-oxoethyl]-N-(2-methoxyphenyl)-4-piperidinecarboxamide IUPAC Name: 1-[2-[2-(cyanomethylsulfanyl)anilino]-2-oxoethyl]-N-(2-methoxyphenyl)piperidine-4-carboxamide Traditional Name: 1-[2-[2-(cyanomethylthio)anilino]-2-keto-ethyl]-N-(2-methoxyphenyl)isonipecotamide Formula: C23H26N4O3S MolecularWeight: 438.54254

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1NC(=O)C2CCN(CC2)CC(=O)NC3=CC=CC=C3SCC#N

Isomeric SMILES

COC1=CC=CC=C1NC(=O)C2CCN(CC2)CC(=O)NC3=CC=CC=C3SCC#N

InChI

InChI=1S/C23H26N4O3S/c1-30-20-8-4-2-6-18(20)26-23(29)17-10-13-27(14-11-17)16-22(28)25-19-7-3-5-9-21(19)31-15-12-24/h2-9,17H,10-11,13-16H2,1H3,(H,25,28)(H,26,29)