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

Systemtic Name: 2-[4-(butylcarbamothioyl)piperazin-1-ium-1-yl]-N-[4-(trifluoromethyloxy)phenyl]ethanamide Openeye Name: 2-[4-(butylcarbamothioyl)piperazin-1-ium-1-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide CAS Name: 2-[4-[butylamino(sulfanylidene)methyl]-1-piperazin-1-iumyl]-N-[4-(trifluoromethoxy)phenyl]acetamide IUPAC Name: 2-[4-(butylcarbamothioyl)piperazin-1-ium-1-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide Traditional Name: 2-[4-(butylthiocarbamoyl)piperazin-1-ium-1-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide Formula: C18H26F3N4O2S+ MolecularWeight: 419.48485

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H25F3N4O2S/c1-2-3-8-22-17(28)25-11-9-24(10-12-25)13-16(26)23-14-4-6-15(7-5-14)27-18(19,20)21/h4-7H,2-3,8-13H2,1H3,(H,22,28)(H,23,26)/p+1