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

Systemtic Name: methyl 4-[(2-morpholin-4-ium-4-ylethylcarbamothioylhydrazinylidene)methyl]benzoate Openeye Name: methyl 4-[(2-morpholin-4-ium-4-ylethylcarbamothioylhydrazono)methyl]benzoate CAS Name: 4-[[[[2-(4-morpholin-4-iumyl)ethylamino]-sulfanylidenemethyl]hydrazinylidene]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(2-morpholin-4-ium-4-ylethylcarbamothioylhydrazinylidene)methyl]benzoate Traditional Name: 4-[(2-morpholin-4-ium-4-ylethylthiocarbamoylhydrazono)methyl]benzoic acid methyl ester Formula: C16H23N4O3S+ MolecularWeight: 351.44382

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)C=NNC(=S)NCC[NH+]2CCOCC2

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)C=NNC(=S)NCC[NH+]2CCOCC2

InChI

InChI=1S/C16H22N4O3S/c1-22-15(21)14-4-2-13(3-5-14)12-18-19-16(24)17-6-7-20-8-10-23-11-9-20/h2-5,12H,6-11H2,1H3,(H2,17,19,24)/p+1