(3R)-N-(4-chloranyl-2-methyl-phenyl)-3-(4-methylsulfanylphenyl)carbonyl-piperidine-1-carboxamide

Systemtic Name: (3R)-N-(4-chloranyl-2-methyl-phenyl)-3-(4-methylsulfanylphenyl)carbonyl-piperidine-1-carboxamide Openeye Name: (3R)-N-(4-chloro-2-methyl-phenyl)-3-(4-methylsulfanylbenzoyl)piperidine-1-carboxamide CAS Name: (3R)-N-(4-chloro-2-methylphenyl)-3-[[4-(methylthio)phenyl]-oxomethyl]-1-piperidinecarboxamide IUPAC Name: (3R)-N-(4-chloro-2-methylphenyl)-3-(4-methylsulfanylbenzoyl)piperidine-1-carboxamide Traditional Name: (3R)-N-(4-chloro-2-methyl-phenyl)-3-[4-(methylthio)benzoyl]piperidine-1-carboxamide Formula: C21H23ClN2O2S MolecularWeight: 402.93752

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Cl)NC(=O)N2CCCC(C2)C(=O)C3=CC=C(C=C3)SC

Isomeric SMILES

CC1=C(C=CC(=C1)Cl)NC(=O)N2CCC[C@H](C2)C(=O)C3=CC=C(C=C3)SC

InChI

InChI=1S/C21H23ClN2O2S/c1-14-12-17(22)7-10-19(14)23-21(26)24-11-3-4-16(13-24)20(25)15-5-8-18(27-2)9-6-15/h5-10,12,16H,3-4,11,13H2,1-2H3,(H,23,26)/t16-/m1/s1