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

Systemtic Name: 1-[2-[[2-(cyanomethylsulfanyl)phenyl]amino]-2-oxidanylidene-ethyl]-N-phenyl-piperidine-4-carboxamide Openeye Name: 1-[2-[2-(cyanomethylsulfanyl)anilino]-2-oxo-ethyl]-N-phenyl-piperidine-4-carboxamide CAS Name: 1-[2-[2-(cyanomethylthio)anilino]-2-oxoethyl]-N-phenyl-4-piperidinecarboxamide IUPAC Name: 1-[2-[2-(cyanomethylsulfanyl)anilino]-2-oxoethyl]-N-phenylpiperidine-4-carboxamide Traditional Name: 1-[2-[2-(cyanomethylthio)anilino]-2-keto-ethyl]-N-phenyl-isonipecotamide Formula: C22H24N4O2S MolecularWeight: 408.51656

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)NC2=CC=CC=C2)CC(=O)NC3=CC=CC=C3SCC#N

Isomeric SMILES

C1CN(CCC1C(=O)NC2=CC=CC=C2)CC(=O)NC3=CC=CC=C3SCC#N

InChI

InChI=1S/C22H24N4O2S/c23-12-15-29-20-9-5-4-8-19(20)25-21(27)16-26-13-10-17(11-14-26)22(28)24-18-6-2-1-3-7-18/h1-9,17H,10-11,13-16H2,(H,24,28)(H,25,27)