1-[(3-chlorophenyl)methyl]-N-[2-[(4-methylphenyl)methylsulfanyl]ethyl]piperidine-3-carboxamide

Systemtic Name: 1-[(3-chlorophenyl)methyl]-N-[2-[(4-methylphenyl)methylsulfanyl]ethyl]piperidine-3-carboxamide Openeye Name: 1-[(3-chlorophenyl)methyl]-N-[2-(p-tolylmethylsulfanyl)ethyl]piperidine-3-carboxamide CAS Name: 1-[(3-chlorophenyl)methyl]-N-[2-[(4-methylphenyl)methylthio]ethyl]-3-piperidinecarboxamide IUPAC Name: 1-[(3-chlorophenyl)methyl]-N-[2-[(4-methylphenyl)methylsulfanyl]ethyl]piperidine-3-carboxamide Traditional Name: 1-(3-chlorobenzyl)-N-[2-[(4-methylbenzyl)thio]ethyl]nipecotamide Formula: C23H29ClN2OS MolecularWeight: 417.00716

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CSCCNC(=O)C2CCCN(C2)CC3=CC(=CC=C3)Cl

Isomeric SMILES

CC1=CC=C(C=C1)CSCCNC(=O)C2CCCN(C2)CC3=CC(=CC=C3)Cl

InChI

InChI=1S/C23H29ClN2OS/c1-18-7-9-19(10-8-18)17-28-13-11-25-23(27)21-5-3-12-26(16-21)15-20-4-2-6-22(24)14-20/h2,4,6-10,14,21H,3,5,11-13,15-17H2,1H3,(H,25,27)