1-[(4-bromophenyl)methyl]-N-[3-[(2-fluorophenyl)methylsulfanyl]propyl]piperidine-3-carboxamide

Systemtic Name: 1-[(4-bromophenyl)methyl]-N-[3-[(2-fluorophenyl)methylsulfanyl]propyl]piperidine-3-carboxamide Openeye Name: 1-[(4-bromophenyl)methyl]-N-[3-[(2-fluorophenyl)methylsulfanyl]propyl]piperidine-3-carboxamide CAS Name: 1-[(4-bromophenyl)methyl]-N-[3-[(2-fluorophenyl)methylthio]propyl]-3-piperidinecarboxamide IUPAC Name: 1-[(4-bromophenyl)methyl]-N-[3-[(2-fluorophenyl)methylsulfanyl]propyl]piperidine-3-carboxamide Traditional Name: 1-(4-bromobenzyl)-N-[3-[(2-fluorobenzyl)thio]propyl]nipecotamide Formula: C23H28BrFN2OS MolecularWeight: 479.448623

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)CC2=CC=C(C=C2)Br)C(=O)NCCCSCC3=CC=CC=C3F

Isomeric SMILES

C1CC(CN(C1)CC2=CC=C(C=C2)Br)C(=O)NCCCSCC3=CC=CC=C3F

InChI

InChI=1S/C23H28BrFN2OS/c24-21-10-8-18(9-11-21)15-27-13-3-6-19(16-27)23(28)26-12-4-14-29-17-20-5-1-2-7-22(20)25/h1-2,5,7-11,19H,3-4,6,12-17H2,(H,26,28)