2-[4-(phenethylcarbamothioyl)piperazin-1-ium-1-yl]-N-[4-(trifluoromethyloxy)phenyl]ethanamide

Systemtic Name: 2-[4-(phenethylcarbamothioyl)piperazin-1-ium-1-yl]-N-[4-(trifluoromethyloxy)phenyl]ethanamide Openeye Name: 2-[4-(phenethylcarbamothioyl)piperazin-1-ium-1-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide CAS Name: 2-[4-[(phenethylamino)-sulfanylidenemethyl]-1-piperazin-1-iumyl]-N-[4-(trifluoromethoxy)phenyl]acetamide IUPAC Name: 2-[4-(phenethylcarbamothioyl)piperazin-1-ium-1-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide Traditional Name: 2-[4-(phenethylthiocarbamoyl)piperazin-1-ium-1-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide Formula: C22H26F3N4O2S+ MolecularWeight: 467.52765

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(=O)NC2=CC=C(C=C2)OC(F)(F)F)C(=S)NCCC3=CC=CC=C3

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)NC2=CC=C(C=C2)OC(F)(F)F)C(=S)NCCC3=CC=CC=C3

InChI

InChI=1S/C22H25F3N4O2S/c23-22(24,25)31-19-8-6-18(7-9-19)27-20(30)16-28-12-14-29(15-13-28)21(32)26-11-10-17-4-2-1-3-5-17/h1-9H,10-16H2,(H,26,32)(H,27,30)/p+1