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

Systemtic Name: 1-[2-[(3,4-dimethoxyphenyl)amino]-2-oxidanylidene-ethyl]-N-(3-methylsulfanylphenyl)piperidine-4-carboxamide Openeye Name: 1-[2-(3,4-dimethoxyanilino)-2-oxo-ethyl]-N-(3-methylsulfanylphenyl)piperidine-4-carboxamide CAS Name: 1-[2-(3,4-dimethoxyanilino)-2-oxoethyl]-N-[3-(methylthio)phenyl]-4-piperidinecarboxamide IUPAC Name: 1-[2-(3,4-dimethoxyanilino)-2-oxoethyl]-N-(3-methylsulfanylphenyl)piperidine-4-carboxamide Traditional Name: 1-[2-(3,4-dimethoxyanilino)-2-keto-ethyl]-N-[3-(methylthio)phenyl]isonipecotamide Formula: C23H29N3O4S MolecularWeight: 443.55906

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)NC(=O)CN2CCC(CC2)C(=O)NC3=CC(=CC=C3)SC)OC

Isomeric SMILES

COC1=C(C=C(C=C1)NC(=O)CN2CCC(CC2)C(=O)NC3=CC(=CC=C3)SC)OC

InChI

InChI=1S/C23H29N3O4S/c1-29-20-8-7-18(14-21(20)30-2)24-22(27)15-26-11-9-16(10-12-26)23(28)25-17-5-4-6-19(13-17)31-3/h4-8,13-14,16H,9-12,15H2,1-3H3,(H,24,27)(H,25,28)