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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)NCCCSCC2=CC=CC=C2F)CC3=CC(=CC=C3)Br

Isomeric SMILES

C1CN(CCC1C(=O)NCCCSCC2=CC=CC=C2F)CC3=CC(=CC=C3)Br

InChI

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