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

Systemtic Name: 1-[2-[(4-methylphenyl)amino]-2-oxidanylidene-ethyl]-N-(3-methylsulfanylphenyl)piperidine-4-carboxamide Openeye Name: 1-[2-(4-methylanilino)-2-oxo-ethyl]-N-(3-methylsulfanylphenyl)piperidine-4-carboxamide CAS Name: 1-[2-(4-methylanilino)-2-oxoethyl]-N-[3-(methylthio)phenyl]-4-piperidinecarboxamide IUPAC Name: 1-[2-(4-methylanilino)-2-oxoethyl]-N-(3-methylsulfanylphenyl)piperidine-4-carboxamide Traditional Name: 1-[2-keto-2-(p-toluidino)ethyl]-N-[3-(methylthio)phenyl]isonipecotamide Formula: C22H27N3O2S MolecularWeight: 397.53368

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)CN2CCC(CC2)C(=O)NC3=CC(=CC=C3)SC

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)CN2CCC(CC2)C(=O)NC3=CC(=CC=C3)SC

InChI

InChI=1S/C22H27N3O2S/c1-16-6-8-18(9-7-16)23-21(26)15-25-12-10-17(11-13-25)22(27)24-19-4-3-5-20(14-19)28-2/h3-9,14,17H,10-13,15H2,1-2H3,(H,23,26)(H,24,27)