(3S)-N-(3,4-dimethoxyphenyl)-3-(2-methylsulfanylphenyl)carbonyl-piperidine-1-carboxamide

Systemtic Name: (3S)-N-(3,4-dimethoxyphenyl)-3-(2-methylsulfanylphenyl)carbonyl-piperidine-1-carboxamide Openeye Name: (3S)-N-(3,4-dimethoxyphenyl)-3-(2-methylsulfanylbenzoyl)piperidine-1-carboxamide CAS Name: (3S)-N-(3,4-dimethoxyphenyl)-3-[[2-(methylthio)phenyl]-oxomethyl]-1-piperidinecarboxamide IUPAC Name: (3S)-N-(3,4-dimethoxyphenyl)-3-(2-methylsulfanylbenzoyl)piperidine-1-carboxamide Traditional Name: (3S)-N-(3,4-dimethoxyphenyl)-3-[2-(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=CC=C3SC)OC

Isomeric SMILES

COC1=C(C=C(C=C1)NC(=O)N2CCC[C@@H](C2)C(=O)C3=CC=CC=C3SC)OC

InChI

InChI=1S/C22H26N2O4S/c1-27-18-11-10-16(13-19(18)28-2)23-22(26)24-12-6-7-15(14-24)21(25)17-8-4-5-9-20(17)29-3/h4-5,8-11,13,15H,6-7,12,14H2,1-3H3,(H,23,26)/t15-/m0/s1