1-[(4-bromophenyl)methyl]-N-[2-(phenylmethylsulfanyl)ethyl]piperidine-3-carboxamide

Systemtic Name: 1-[(4-bromophenyl)methyl]-N-[2-(phenylmethylsulfanyl)ethyl]piperidine-3-carboxamide Openeye Name: N-(2-benzylsulfanylethyl)-1-[(4-bromophenyl)methyl]piperidine-3-carboxamide CAS Name: 1-[(4-bromophenyl)methyl]-N-[2-(phenylmethylthio)ethyl]-3-piperidinecarboxamide IUPAC Name: N-(2-benzylsulfanylethyl)-1-[(4-bromophenyl)methyl]piperidine-3-carboxamide Traditional Name: N-[2-(benzylthio)ethyl]-1-(4-bromobenzyl)nipecotamide Formula: C22H27BrN2OS MolecularWeight: 447.43158

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)CC2=CC=C(C=C2)Br)C(=O)NCCSCC3=CC=CC=C3

Isomeric SMILES

C1CC(CN(C1)CC2=CC=C(C=C2)Br)C(=O)NCCSCC3=CC=CC=C3

InChI

InChI=1S/C22H27BrN2OS/c23-21-10-8-18(9-11-21)15-25-13-4-7-20(16-25)22(26)24-12-14-27-17-19-5-2-1-3-6-19/h1-3,5-6,8-11,20H,4,7,12-17H2,(H,24,26)