1-[(4-bromophenyl)methyl]-N-[4-(phenylsulfanylmethyl)phenyl]piperidine-3-carboxamide

Systemtic Name: 1-[(4-bromophenyl)methyl]-N-[4-(phenylsulfanylmethyl)phenyl]piperidine-3-carboxamide Openeye Name: 1-[(4-bromophenyl)methyl]-N-[4-(phenylsulfanylmethyl)phenyl]piperidine-3-carboxamide CAS Name: 1-[(4-bromophenyl)methyl]-N-[4-[(phenylthio)methyl]phenyl]-3-piperidinecarboxamide IUPAC Name: 1-[(4-bromophenyl)methyl]-N-[4-(phenylsulfanylmethyl)phenyl]piperidine-3-carboxamide Traditional Name: 1-(4-bromobenzyl)-N-[4-[(phenylthio)methyl]phenyl]nipecotamide Formula: C26H27BrN2OS MolecularWeight: 495.47438

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)CC2=CC=C(C=C2)Br)C(=O)NC3=CC=C(C=C3)CSC4=CC=CC=C4

Isomeric SMILES

C1CC(CN(C1)CC2=CC=C(C=C2)Br)C(=O)NC3=CC=C(C=C3)CSC4=CC=CC=C4

InChI

InChI=1S/C26H27BrN2OS/c27-23-12-8-20(9-13-23)17-29-16-4-5-22(18-29)26(30)28-24-14-10-21(11-15-24)19-31-25-6-2-1-3-7-25/h1-3,6-15,22H,4-5,16-19H2,(H,28,30)