N-(2-methoxyphenyl)-1-[2-[(3-methylsulfanylphenyl)amino]-2-oxidanylidene-ethyl]piperidine-4-carboxamide

Systemtic Name: N-(2-methoxyphenyl)-1-[2-[(3-methylsulfanylphenyl)amino]-2-oxidanylidene-ethyl]piperidine-4-carboxamide Openeye Name: N-(2-methoxyphenyl)-1-[2-(3-methylsulfanylanilino)-2-oxo-ethyl]piperidine-4-carboxamide CAS Name: N-(2-methoxyphenyl)-1-[2-[3-(methylthio)anilino]-2-oxoethyl]-4-piperidinecarboxamide IUPAC Name: N-(2-methoxyphenyl)-1-[2-(3-methylsulfanylanilino)-2-oxoethyl]piperidine-4-carboxamide Traditional Name: 1-[2-keto-2-[3-(methylthio)anilino]ethyl]-N-(2-methoxyphenyl)isonipecotamide Formula: C22H27N3O3S MolecularWeight: 413.53308

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1NC(=O)C2CCN(CC2)CC(=O)NC3=CC(=CC=C3)SC

Isomeric SMILES

COC1=CC=CC=C1NC(=O)C2CCN(CC2)CC(=O)NC3=CC(=CC=C3)SC

InChI

InChI=1S/C22H27N3O3S/c1-28-20-9-4-3-8-19(20)24-22(27)16-10-12-25(13-11-16)15-21(26)23-17-6-5-7-18(14-17)29-2/h3-9,14,16H,10-13,15H2,1-2H3,(H,23,26)(H,24,27)