1-[(3,4-dichlorophenyl)methyl]-N-[2-(4-methylphenyl)sulfanylethyl]piperidine-3-carboxamide

Systemtic Name: 1-[(3,4-dichlorophenyl)methyl]-N-[2-(4-methylphenyl)sulfanylethyl]piperidine-3-carboxamide Openeye Name: 1-[(3,4-dichlorophenyl)methyl]-N-[2-(p-tolylsulfanyl)ethyl]piperidine-3-carboxamide CAS Name: 1-[(3,4-dichlorophenyl)methyl]-N-[2-[(4-methylphenyl)thio]ethyl]-3-piperidinecarboxamide IUPAC Name: 1-[(3,4-dichlorophenyl)methyl]-N-[2-(4-methylphenyl)sulfanylethyl]piperidine-3-carboxamide Traditional Name: 1-(3,4-dichlorobenzyl)-N-[2-(p-tolylthio)ethyl]nipecotamide Formula: C22H26Cl2N2OS MolecularWeight: 437.42564

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H26Cl2N2OS/c1-16-4-7-19(8-5-16)28-12-10-25-22(27)18-3-2-11-26(15-18)14-17-6-9-20(23)21(24)13-17/h4-9,13,18H,2-3,10-12,14-15H2,1H3,(H,25,27)