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

Systemtic Name: 2,3-dimethoxy-6-[(Z)-(3-morpholin-4-ium-4-ylpropylcarbamothioylhydrazinylidene)methyl]benzoate Openeye Name: 2,3-dimethoxy-6-[(Z)-(3-morpholin-4-ium-4-ylpropylcarbamothioylhydrazono)methyl]benzoate CAS Name: 2,3-dimethoxy-6-[(Z)-[[[3-(4-morpholin-4-iumyl)propylamino]-sulfanylidenemethyl]hydrazinylidene]methyl]benzoate IUPAC Name: 2,3-dimethoxy-6-[(Z)-(3-morpholin-4-ium-4-ylpropylcarbamothioylhydrazinylidene)methyl]benzoate Traditional Name: 2,3-dimethoxy-6-[(Z)-(3-morpholin-4-ium-4-ylpropylthiocarbamoylhydrazono)methyl]benzoate Formula: C18H26N4O5S MolecularWeight: 410.48784

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H26N4O5S/c1-25-14-5-4-13(15(17(23)24)16(14)26-2)12-20-21-18(28)19-6-3-7-22-8-10-27-11-9-22/h4-5,12H,3,6-11H2,1-2H3,(H,23,24)(H2,19,21,28)/b20-12-