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

Systemtic Name: 3-chloranyl-N-(2-morpholin-4-ium-4-ylethylcarbamothioyl)benzenecarboximidate Openeye Name: 3-chloro-N-(2-morpholin-4-ium-4-ylethylcarbamothioyl)benzenecarboximidate CAS Name: 3-chloro-N-[[2-(4-morpholin-4-iumyl)ethylamino]-sulfanylidenemethyl]benzenecarboximidate IUPAC Name: 3-chloro-N-(2-morpholin-4-ium-4-ylethylcarbamothioyl)benzenecarboximidate Traditional Name: 3-chloro-N-(2-morpholin-4-ium-4-ylethylthiocarbamoyl)benzenecarboximidate Formula: C14H18ClN3O2S MolecularWeight: 327.82962

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H18ClN3O2S/c15-12-3-1-2-11(10-12)13(19)17-14(21)16-4-5-18-6-8-20-9-7-18/h1-3,10H,4-9H2,(H2,16,17,19,21)