1-[(3-bromophenyl)methyl]-N-[3-[(4-chlorophenyl)methylsulfanyl]propyl]piperidine-3-carboxamide

Systemtic Name: 1-[(3-bromophenyl)methyl]-N-[3-[(4-chlorophenyl)methylsulfanyl]propyl]piperidine-3-carboxamide Openeye Name: 1-[(3-bromophenyl)methyl]-N-[3-[(4-chlorophenyl)methylsulfanyl]propyl]piperidine-3-carboxamide CAS Name: 1-[(3-bromophenyl)methyl]-N-[3-[(4-chlorophenyl)methylthio]propyl]-3-piperidinecarboxamide IUPAC Name: 1-[(3-bromophenyl)methyl]-N-[3-[(4-chlorophenyl)methylsulfanyl]propyl]piperidine-3-carboxamide Traditional Name: 1-(3-bromobenzyl)-N-[3-[(4-chlorobenzyl)thio]propyl]nipecotamide Formula: C23H28BrClN2OS MolecularWeight: 495.90322

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)CC2=CC(=CC=C2)Br)C(=O)NCCCSCC3=CC=C(C=C3)Cl

Isomeric SMILES

C1CC(CN(C1)CC2=CC(=CC=C2)Br)C(=O)NCCCSCC3=CC=C(C=C3)Cl

InChI

InChI=1S/C23H28BrClN2OS/c24-21-6-1-4-19(14-21)15-27-12-2-5-20(16-27)23(28)26-11-3-13-29-17-18-7-9-22(25)10-8-18/h1,4,6-10,14,20H,2-3,5,11-13,15-17H2,(H,26,28)