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

Systemtic Name: 2-[4-(ethylcarbamothioyl)piperazin-1-ium-1-yl]-N-[4-(trifluoromethyloxy)phenyl]ethanamide Openeye Name: 2-[4-(ethylcarbamothioyl)piperazin-1-ium-1-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide CAS Name: 2-[4-[ethylamino(sulfanylidene)methyl]-1-piperazin-1-iumyl]-N-[4-(trifluoromethoxy)phenyl]acetamide IUPAC Name: 2-[4-(ethylcarbamothioyl)piperazin-1-ium-1-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide Traditional Name: 2-[4-(ethylthiocarbamoyl)piperazin-1-ium-1-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide Formula: C16H22F3N4O2S+ MolecularWeight: 391.43169

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=S)N1CC[NH+](CC1)CC(=O)NC2=CC=C(C=C2)OC(F)(F)F

Isomeric SMILES

CCNC(=S)N1CC[NH+](CC1)CC(=O)NC2=CC=C(C=C2)OC(F)(F)F

InChI

InChI=1S/C16H21F3N4O2S/c1-2-20-15(26)23-9-7-22(8-10-23)11-14(24)21-12-3-5-13(6-4-12)25-16(17,18)19/h3-6H,2,7-11H2,1H3,(H,20,26)(H,21,24)/p+1