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

Systemtic Name: 1-[(3-bromophenyl)methyl]-N-[3-[(2-fluorophenyl)methylsulfanyl]propyl]piperidine-3-carboxamide Openeye Name: 1-[(3-bromophenyl)methyl]-N-[3-[(2-fluorophenyl)methylsulfanyl]propyl]piperidine-3-carboxamide CAS Name: 1-[(3-bromophenyl)methyl]-N-[3-[(2-fluorophenyl)methylthio]propyl]-3-piperidinecarboxamide IUPAC Name: 1-[(3-bromophenyl)methyl]-N-[3-[(2-fluorophenyl)methylsulfanyl]propyl]piperidine-3-carboxamide Traditional Name: 1-(3-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(=CC=C2)Br)C(=O)NCCCSCC3=CC=CC=C3F

Isomeric SMILES

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

InChI

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