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

Systemtic Name: 2-bromanyl-N-(2-morpholin-4-ium-4-ylethylcarbamothioyl)benzenecarboximidate Openeye Name: 2-bromo-N-(2-morpholin-4-ium-4-ylethylcarbamothioyl)benzenecarboximidate CAS Name: 2-bromo-N-[[2-(4-morpholin-4-iumyl)ethylamino]-sulfanylidenemethyl]benzenecarboximidate IUPAC Name: 2-bromo-N-(2-morpholin-4-ium-4-ylethylcarbamothioyl)benzenecarboximidate Traditional Name: 2-bromo-N-(2-morpholin-4-ium-4-ylethylthiocarbamoyl)benzenecarboximidate Formula: C14H18BrN3O2S MolecularWeight: 372.28062

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CCNC(=S)N=C(C2=CC=CC=C2Br)[O-]

Isomeric SMILES

C1COCC[NH+]1CCNC(=S)N=C(C2=CC=CC=C2Br)[O-]

InChI

InChI=1S/C14H18BrN3O2S/c15-12-4-2-1-3-11(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)