[2-oxidanylidene-2-[(2-phenylsulfanylphenyl)amino]ethyl] 1-(phenylcarbamoyl)piperidine-4-carboxylate

Systemtic Name: [2-oxidanylidene-2-[(2-phenylsulfanylphenyl)amino]ethyl] 1-(phenylcarbamoyl)piperidine-4-carboxylate Openeye Name: [2-oxo-2-(2-phenylsulfanylanilino)ethyl] 1-(phenylcarbamoyl)piperidine-4-carboxylate CAS Name: 1-[anilino(oxo)methyl]-4-piperidinecarboxylic acid [2-oxo-2-[2-(phenylthio)anilino]ethyl] ester IUPAC Name: [2-oxo-2-(2-phenylsulfanylanilino)ethyl] 1-(phenylcarbamoyl)piperidine-4-carboxylate Traditional Name: 1-(phenylcarbamoyl)isonipecotic acid [2-keto-2-[2-(phenylthio)anilino]ethyl] ester Formula: C27H27N3O4S MolecularWeight: 489.58598

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)OCC(=O)NC2=CC=CC=C2SC3=CC=CC=C3)C(=O)NC4=CC=CC=C4

Isomeric SMILES

C1CN(CCC1C(=O)OCC(=O)NC2=CC=CC=C2SC3=CC=CC=C3)C(=O)NC4=CC=CC=C4

InChI

InChI=1S/C27H27N3O4S/c31-25(29-23-13-7-8-14-24(23)35-22-11-5-2-6-12-22)19-34-26(32)20-15-17-30(18-16-20)27(33)28-21-9-3-1-4-10-21/h1-14,20H,15-19H2,(H,28,33)(H,29,31)