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

Systemtic Name: 1-[2-[(3,4-dimethylphenyl)amino]-2-oxidanylidene-ethyl]-N-(2-methylsulfanylphenyl)piperidine-4-carboxamide Openeye Name: 1-[2-(3,4-dimethylanilino)-2-oxo-ethyl]-N-(2-methylsulfanylphenyl)piperidine-4-carboxamide CAS Name: 1-[2-(3,4-dimethylanilino)-2-oxoethyl]-N-[2-(methylthio)phenyl]-4-piperidinecarboxamide IUPAC Name: 1-[2-(3,4-dimethylanilino)-2-oxoethyl]-N-(2-methylsulfanylphenyl)piperidine-4-carboxamide Traditional Name: 1-[2-(3,4-dimethylanilino)-2-keto-ethyl]-N-[2-(methylthio)phenyl]isonipecotamide Formula: C23H29N3O2S MolecularWeight: 411.56026

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)CN2CCC(CC2)C(=O)NC3=CC=CC=C3SC)C

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)CN2CCC(CC2)C(=O)NC3=CC=CC=C3SC)C

InChI

InChI=1S/C23H29N3O2S/c1-16-8-9-19(14-17(16)2)24-22(27)15-26-12-10-18(11-13-26)23(28)25-20-6-4-5-7-21(20)29-3/h4-9,14,18H,10-13,15H2,1-3H3,(H,24,27)(H,25,28)