4-fluoranyl-N-(2-morpholin-4-ium-4-ylethylcarbamothioyl)benzenecarboximidate

Systemtic Name: 4-fluoranyl-N-(2-morpholin-4-ium-4-ylethylcarbamothioyl)benzenecarboximidate Openeye Name: 4-fluoro-N-(2-morpholin-4-ium-4-ylethylcarbamothioyl)benzenecarboximidate CAS Name: 4-fluoro-N-[[2-(4-morpholin-4-iumyl)ethylamino]-sulfanylidenemethyl]benzenecarboximidate IUPAC Name: 4-fluoro-N-(2-morpholin-4-ium-4-ylethylcarbamothioyl)benzenecarboximidate Traditional Name: 4-fluoro-N-(2-morpholin-4-ium-4-ylethylthiocarbamoyl)benzenecarboximidate Formula: C14H18FN3O2S MolecularWeight: 311.375023

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H18FN3O2S/c15-12-3-1-11(2-4-12)13(19)17-14(21)16-5-6-18-7-9-20-10-8-18/h1-4H,5-10H2,(H2,16,17,19,21)