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

Systemtic Name: 2-[4-(cyclopropylcarbamothioyl)piperazin-1-ium-1-yl]-N-[4-(trifluoromethyloxy)phenyl]ethanamide Openeye Name: 2-[4-(cyclopropylcarbamothioyl)piperazin-1-ium-1-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide CAS Name: 2-[4-[(cyclopropylamino)-sulfanylidenemethyl]-1-piperazin-1-iumyl]-N-[4-(trifluoromethoxy)phenyl]acetamide IUPAC Name: 2-[4-(cyclopropylcarbamothioyl)piperazin-1-ium-1-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide Traditional Name: 2-[4-(cyclopropylthiocarbamoyl)piperazin-1-ium-1-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide Formula: C17H22F3N4O2S+ MolecularWeight: 403.44239

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1NC(=S)N2CC[NH+](CC2)CC(=O)NC3=CC=C(C=C3)OC(F)(F)F

Isomeric SMILES

C1CC1NC(=S)N2CC[NH+](CC2)CC(=O)NC3=CC=C(C=C3)OC(F)(F)F

InChI

InChI=1S/C17H21F3N4O2S/c18-17(19,20)26-14-5-3-12(4-6-14)21-15(25)11-23-7-9-24(10-8-23)16(27)22-13-1-2-13/h3-6,13H,1-2,7-11H2,(H,21,25)(H,22,27)/p+1