4-[(E)-(2-morpholin-4-ium-4-ylethylcarbamothioylhydrazinylidene)methyl]benzoate

Systemtic Name: 4-[(E)-(2-morpholin-4-ium-4-ylethylcarbamothioylhydrazinylidene)methyl]benzoate Openeye Name: 4-[(E)-(2-morpholin-4-ium-4-ylethylcarbamothioylhydrazono)methyl]benzoate CAS Name: 4-[(E)-[[[2-(4-morpholin-4-iumyl)ethylamino]-sulfanylidenemethyl]hydrazinylidene]methyl]benzoate IUPAC Name: 4-[(E)-(2-morpholin-4-ium-4-ylethylcarbamothioylhydrazinylidene)methyl]benzoate Traditional Name: 4-[(E)-(2-morpholin-4-ium-4-ylethylthiocarbamoylhydrazono)methyl]benzoate Formula: C15H20N4O3S MolecularWeight: 336.4093

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CCNC(=S)NN=CC2=CC=C(C=C2)C(=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C15H20N4O3S/c20-14(21)13-3-1-12(2-4-13)11-17-18-15(23)16-5-6-19-7-9-22-10-8-19/h1-4,11H,5-10H2,(H,20,21)(H2,16,18,23)/b17-11+