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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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