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

Systemtic Name: 1-[(3-bromophenyl)methyl]-N-[2-(4-chlorophenyl)sulfanylethyl]piperidine-3-carboxamide Openeye Name: 1-[(3-bromophenyl)methyl]-N-[2-(4-chlorophenyl)sulfanylethyl]piperidine-3-carboxamide CAS Name: 1-[(3-bromophenyl)methyl]-N-[2-[(4-chlorophenyl)thio]ethyl]-3-piperidinecarboxamide IUPAC Name: 1-[(3-bromophenyl)methyl]-N-[2-(4-chlorophenyl)sulfanylethyl]piperidine-3-carboxamide Traditional Name: 1-(3-bromobenzyl)-N-[2-[(4-chlorophenyl)thio]ethyl]nipecotamide Formula: C21H24BrClN2OS MolecularWeight: 467.85006

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)CC2=CC(=CC=C2)Br)C(=O)NCCSC3=CC=C(C=C3)Cl

Isomeric SMILES

C1CC(CN(C1)CC2=CC(=CC=C2)Br)C(=O)NCCSC3=CC=C(C=C3)Cl

InChI

InChI=1S/C21H24BrClN2OS/c22-18-5-1-3-16(13-18)14-25-11-2-4-17(15-25)21(26)24-10-12-27-20-8-6-19(23)7-9-20/h1,3,5-9,13,17H,2,4,10-12,14-15H2,(H,24,26)