N-(2-morpholin-4-ium-4-ylethylcarbamothioyl)-3-(trifluoromethyl)benzenecarboximidate

Systemtic Name: N-(2-morpholin-4-ium-4-ylethylcarbamothioyl)-3-(trifluoromethyl)benzenecarboximidate Openeye Name: N-(2-morpholin-4-ium-4-ylethylcarbamothioyl)-3-(trifluoromethyl)benzenecarboximidate CAS Name: N-[[2-(4-morpholin-4-iumyl)ethylamino]-sulfanylidenemethyl]-3-(trifluoromethyl)benzenecarboximidate IUPAC Name: N-(2-morpholin-4-ium-4-ylethylcarbamothioyl)-3-(trifluoromethyl)benzenecarboximidate Traditional Name: N-(2-morpholin-4-ium-4-ylethylthiocarbamoyl)-3-(trifluoromethyl)benzenecarboximidate Formula: C15H18F3N3O2S MolecularWeight: 361.38253

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CCNC(=S)N=C(C2=CC(=CC=C2)C(F)(F)F)[O-]

Isomeric SMILES

C1COCC[NH+]1CCNC(=S)N=C(C2=CC(=CC=C2)C(F)(F)F)[O-]

InChI

InChI=1S/C15H18F3N3O2S/c16-15(17,18)12-3-1-2-11(10-12)13(22)20-14(24)19-4-5-21-6-8-23-9-7-21/h1-3,10H,4-9H2,(H2,19,20,22,24)