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

Systemtic Name: N-propyl-2-[4-[[4-(trifluoromethyloxy)phenyl]carbamothioyl]piperazin-1-ium-1-yl]ethanamide Openeye Name: N-propyl-2-[4-[[4-(trifluoromethoxy)phenyl]carbamothioyl]piperazin-1-ium-1-yl]acetamide CAS Name: N-propyl-2-[4-[sulfanylidene-[4-(trifluoromethoxy)anilino]methyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: N-propyl-2-[4-[[4-(trifluoromethoxy)phenyl]carbamothioyl]piperazin-1-ium-1-yl]acetamide Traditional Name: N-propyl-2-[4-[[4-(trifluoromethoxy)phenyl]thiocarbamoyl]piperazin-1-ium-1-yl]acetamide Formula: C17H24F3N4O2S+ MolecularWeight: 405.45827

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)C[NH+]1CCN(CC1)C(=S)NC2=CC=C(C=C2)OC(F)(F)F

Isomeric SMILES

CCCNC(=O)C[NH+]1CCN(CC1)C(=S)NC2=CC=C(C=C2)OC(F)(F)F

InChI

InChI=1S/C17H23F3N4O2S/c1-2-7-21-15(25)12-23-8-10-24(11-9-23)16(27)22-13-3-5-14(6-4-13)26-17(18,19)20/h3-6H,2,7-12H2,1H3,(H,21,25)(H,22,27)/p+1