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

Systemtic Name: methyl 2-[(Z)-(3-morpholin-4-ium-4-ylpropylcarbamothioylhydrazinylidene)methyl]benzoate Openeye Name: methyl 2-[(Z)-(3-morpholin-4-ium-4-ylpropylcarbamothioylhydrazono)methyl]benzoate CAS Name: 2-[(Z)-[[[3-(4-morpholin-4-iumyl)propylamino]-sulfanylidenemethyl]hydrazinylidene]methyl]benzoic acid methyl ester IUPAC Name: methyl 2-[(Z)-(3-morpholin-4-ium-4-ylpropylcarbamothioylhydrazinylidene)methyl]benzoate Traditional Name: 2-[(Z)-(3-morpholin-4-ium-4-ylpropylthiocarbamoylhydrazono)methyl]benzoic acid methyl ester Formula: C17H25N4O3S+ MolecularWeight: 365.4704

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC=C1C=NNC(=S)NCCC[NH+]2CCOCC2

Isomeric SMILES

COC(=O)C1=CC=CC=C1/C=N\NC(=S)NCCC[NH+]2CCOCC2

InChI

InChI=1S/C17H24N4O3S/c1-23-16(22)15-6-3-2-5-14(15)13-19-20-17(25)18-7-4-8-21-9-11-24-12-10-21/h2-3,5-6,13H,4,7-12H2,1H3,(H2,18,20,25)/p+1/b19-13-