1-[2-[(3,5-dimethylphenyl)amino]-2-oxidanylidene-ethyl]-N-(2-methylsulfanylphenyl)piperidine-4-carboxamide

Systemtic Name: 1-[2-[(3,5-dimethylphenyl)amino]-2-oxidanylidene-ethyl]-N-(2-methylsulfanylphenyl)piperidine-4-carboxamide Openeye Name: 1-[2-(3,5-dimethylanilino)-2-oxo-ethyl]-N-(2-methylsulfanylphenyl)piperidine-4-carboxamide CAS Name: 1-[2-(3,5-dimethylanilino)-2-oxoethyl]-N-[2-(methylthio)phenyl]-4-piperidinecarboxamide IUPAC Name: 1-[2-(3,5-dimethylanilino)-2-oxoethyl]-N-(2-methylsulfanylphenyl)piperidine-4-carboxamide Traditional Name: 1-[2-(3,5-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=CC(=CC(=C1)NC(=O)CN2CCC(CC2)C(=O)NC3=CC=CC=C3SC)C

Isomeric SMILES

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

InChI

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