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

Systemtic Name: 1-[(4-bromophenyl)methyl]-N-[2-(4-methylphenyl)sulfanylethyl]piperidine-3-carboxamide Openeye Name: 1-[(4-bromophenyl)methyl]-N-[2-(p-tolylsulfanyl)ethyl]piperidine-3-carboxamide CAS Name: 1-[(4-bromophenyl)methyl]-N-[2-[(4-methylphenyl)thio]ethyl]-3-piperidinecarboxamide IUPAC Name: 1-[(4-bromophenyl)methyl]-N-[2-(4-methylphenyl)sulfanylethyl]piperidine-3-carboxamide Traditional Name: 1-(4-bromobenzyl)-N-[2-(p-tolylthio)ethyl]nipecotamide Formula: C22H27BrN2OS MolecularWeight: 447.43158

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H27BrN2OS/c1-17-4-10-21(11-5-17)27-14-12-24-22(26)19-3-2-13-25(16-19)15-18-6-8-20(23)9-7-18/h4-11,19H,2-3,12-16H2,1H3,(H,24,26)