2,3-dimethoxy-6-[(Z)-(2-morpholin-4-ium-4-ylethylcarbamothioylhydrazinylidene)methyl]benzoate

Systemtic Name: 2,3-dimethoxy-6-[(Z)-(2-morpholin-4-ium-4-ylethylcarbamothioylhydrazinylidene)methyl]benzoate Openeye Name: 2,3-dimethoxy-6-[(Z)-(2-morpholin-4-ium-4-ylethylcarbamothioylhydrazono)methyl]benzoate CAS Name: 2,3-dimethoxy-6-[(Z)-[[[2-(4-morpholin-4-iumyl)ethylamino]-sulfanylidenemethyl]hydrazinylidene]methyl]benzoate IUPAC Name: 2,3-dimethoxy-6-[(Z)-(2-morpholin-4-ium-4-ylethylcarbamothioylhydrazinylidene)methyl]benzoate Traditional Name: 2,3-dimethoxy-6-[(Z)-(2-morpholin-4-ium-4-ylethylthiocarbamoylhydrazono)methyl]benzoate Formula: C17H24N4O5S MolecularWeight: 396.46126

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=C(C=C1)C=NNC(=S)NCC[NH+]2CCOCC2)C(=O)[O-])OC

Isomeric SMILES

COC1=C(C(=C(C=C1)/C=N\NC(=S)NCC[NH+]2CCOCC2)C(=O)[O-])OC

InChI

InChI=1S/C17H24N4O5S/c1-24-13-4-3-12(14(16(22)23)15(13)25-2)11-19-20-17(27)18-5-6-21-7-9-26-10-8-21/h3-4,11H,5-10H2,1-2H3,(H,22,23)(H2,18,20,27)/b19-11-