(3S)-N-(3,4-dimethoxyphenyl)-3-(4-methylsulfanylphenyl)carbonyl-piperidine-1-carboxamide

Systemtic Name: (3S)-N-(3,4-dimethoxyphenyl)-3-(4-methylsulfanylphenyl)carbonyl-piperidine-1-carboxamide Openeye Name: (3S)-N-(3,4-dimethoxyphenyl)-3-(4-methylsulfanylbenzoyl)piperidine-1-carboxamide CAS Name: (3S)-N-(3,4-dimethoxyphenyl)-3-[[4-(methylthio)phenyl]-oxomethyl]-1-piperidinecarboxamide IUPAC Name: (3S)-N-(3,4-dimethoxyphenyl)-3-(4-methylsulfanylbenzoyl)piperidine-1-carboxamide Traditional Name: (3S)-N-(3,4-dimethoxyphenyl)-3-[4-(methylthio)benzoyl]piperidine-1-carboxamide Formula: C22H26N2O4S MolecularWeight: 414.51784

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)NC(=O)N2CCCC(C2)C(=O)C3=CC=C(C=C3)SC)OC

Isomeric SMILES

COC1=C(C=C(C=C1)NC(=O)N2CCC[C@@H](C2)C(=O)C3=CC=C(C=C3)SC)OC

InChI

InChI=1S/C22H26N2O4S/c1-27-19-11-8-17(13-20(19)28-2)23-22(26)24-12-4-5-16(14-24)21(25)15-6-9-18(29-3)10-7-15/h6-11,13,16H,4-5,12,14H2,1-3H3,(H,23,26)/t16-/m0/s1