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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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