1-(4-chlorophenyl)carbonyl-N-[4-(2,4-dimethylphenyl)sulfanylphenyl]piperidine-3-carboxamide

Systemtic Name: 1-(4-chlorophenyl)carbonyl-N-[4-(2,4-dimethylphenyl)sulfanylphenyl]piperidine-3-carboxamide Openeye Name: 1-(4-chlorobenzoyl)-N-[4-(2,4-dimethylphenyl)sulfanylphenyl]piperidine-3-carboxamide CAS Name: 1-[(4-chlorophenyl)-oxomethyl]-N-[4-[(2,4-dimethylphenyl)thio]phenyl]-3-piperidinecarboxamide IUPAC Name: 1-(4-chlorobenzoyl)-N-[4-(2,4-dimethylphenyl)sulfanylphenyl]piperidine-3-carboxamide Traditional Name: 1-(4-chlorobenzoyl)-N-[4-[(2,4-dimethylphenyl)thio]phenyl]nipecotamide Formula: C27H27ClN2O2S MolecularWeight: 479.03348

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)SC2=CC=C(C=C2)NC(=O)C3CCCN(C3)C(=O)C4=CC=C(C=C4)Cl)C

Isomeric SMILES

CC1=CC(=C(C=C1)SC2=CC=C(C=C2)NC(=O)C3CCCN(C3)C(=O)C4=CC=C(C=C4)Cl)C

InChI

InChI=1S/C27H27ClN2O2S/c1-18-5-14-25(19(2)16-18)33-24-12-10-23(11-13-24)29-26(31)21-4-3-15-30(17-21)27(32)20-6-8-22(28)9-7-20/h5-14,16,21H,3-4,15,17H2,1-2H3,(H,29,31)