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

Systemtic Name: 1-[2-oxidanylidene-2-[[2-(phenylmethylsulfanyl)phenyl]amino]ethyl]piperidine-4-carboxamide Openeye Name: 1-[2-(2-benzylsulfanylanilino)-2-oxo-ethyl]piperidine-4-carboxamide CAS Name: 1-[2-oxo-2-[2-(phenylmethylthio)anilino]ethyl]-4-piperidinecarboxamide IUPAC Name: 1-[2-(2-benzylsulfanylanilino)-2-oxoethyl]piperidine-4-carboxamide Traditional Name: 1-[2-[2-(benzylthio)anilino]-2-keto-ethyl]isonipecotamide Formula: C21H25N3O2S MolecularWeight: 383.5071

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)N)CC(=O)NC2=CC=CC=C2SCC3=CC=CC=C3

Isomeric SMILES

C1CN(CCC1C(=O)N)CC(=O)NC2=CC=CC=C2SCC3=CC=CC=C3

InChI

InChI=1S/C21H25N3O2S/c22-21(26)17-10-12-24(13-11-17)14-20(25)23-18-8-4-5-9-19(18)27-15-16-6-2-1-3-7-16/h1-9,17H,10-15H2,(H2,22,26)(H,23,25)