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

Systemtic Name: 1-[2-[(3,4-dimethoxyphenyl)amino]-2-oxidanylidene-ethyl]-N-(2-methylsulfanylphenyl)piperidine-4-carboxamide Openeye Name: 1-[2-(3,4-dimethoxyanilino)-2-oxo-ethyl]-N-(2-methylsulfanylphenyl)piperidine-4-carboxamide CAS Name: 1-[2-(3,4-dimethoxyanilino)-2-oxoethyl]-N-[2-(methylthio)phenyl]-4-piperidinecarboxamide IUPAC Name: 1-[2-(3,4-dimethoxyanilino)-2-oxoethyl]-N-(2-methylsulfanylphenyl)piperidine-4-carboxamide Traditional Name: 1-[2-(3,4-dimethoxyanilino)-2-keto-ethyl]-N-[2-(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=C3SC)OC

Isomeric SMILES

COC1=C(C=C(C=C1)NC(=O)CN2CCC(CC2)C(=O)NC3=CC=CC=C3SC)OC

InChI

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