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

Systemtic Name: N-(2-morpholin-4-ium-4-ylethylcarbamothioyl)-3-nitro-benzenecarboximidate Openeye Name: N-(2-morpholin-4-ium-4-ylethylcarbamothioyl)-3-nitro-benzenecarboximidate CAS Name: N-[[2-(4-morpholin-4-iumyl)ethylamino]-sulfanylidenemethyl]-3-nitrobenzenecarboximidate IUPAC Name: N-(2-morpholin-4-ium-4-ylethylcarbamothioyl)-3-nitrobenzenecarboximidate Traditional Name: N-(2-morpholin-4-ium-4-ylethylthiocarbamoyl)-3-nitro-benzenecarboximidate Formula: C14H18N4O4S MolecularWeight: 338.38212

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H18N4O4S/c19-13(11-2-1-3-12(10-11)18(20)21)16-14(23)15-4-5-17-6-8-22-9-7-17/h1-3,10H,4-9H2,(H2,15,16,19,23)