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

Systemtic Name: (3S)-N-(4-ethanoylphenyl)-3-(2-methylsulfanylphenyl)carbonyl-piperidine-1-carboxamide Openeye Name: (3S)-N-(4-acetylphenyl)-3-(2-methylsulfanylbenzoyl)piperidine-1-carboxamide CAS Name: (3S)-N-(4-acetylphenyl)-3-[[2-(methylthio)phenyl]-oxomethyl]-1-piperidinecarboxamide IUPAC Name: (3S)-N-(4-acetylphenyl)-3-(2-methylsulfanylbenzoyl)piperidine-1-carboxamide Traditional Name: (3S)-N-(4-acetylphenyl)-3-[2-(methylthio)benzoyl]piperidine-1-carboxamide Formula: C22H24N2O3S MolecularWeight: 396.50256

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)NC(=O)N2CCCC(C2)C(=O)C3=CC=CC=C3SC

Isomeric SMILES

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

InChI

InChI=1S/C22H24N2O3S/c1-15(25)16-9-11-18(12-10-16)23-22(27)24-13-5-6-17(14-24)21(26)19-7-3-4-8-20(19)28-2/h3-4,7-12,17H,5-6,13-14H2,1-2H3,(H,23,27)/t17-/m0/s1