dimethyl (2Z)-2-(carbamothioylhydrazinylidene)-3-[2-[(4-methylphenyl)amino]-2-oxidanylidene-ethanoyl]butanedioate

Systemtic Name: dimethyl (2Z)-2-(carbamothioylhydrazinylidene)-3-[2-[(4-methylphenyl)amino]-2-oxidanylidene-ethanoyl]butanedioate Openeye Name: dimethyl (2Z)-2-(carbamothioylhydrazono)-3-[2-(4-methylanilino)-2-oxo-acetyl]butanedioate CAS Name: (2Z)-2-(carbamothioylhydrazinylidene)-3-[2-(4-methylanilino)-1,2-dioxoethyl]butanedioic acid dimethyl ester IUPAC Name: dimethyl (2Z)-2-(carbamothioylhydrazinylidene)-3-[2-(4-methylanilino)-2-oxoacetyl]butanedioate Traditional Name: (3Z)-2-[2-keto-2-(p-toluidino)acetyl]-3-(thiocarbamoylhydrazono)succinic acid dimethyl ester Formula: C16H18N4O6S MolecularWeight: 394.40232

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)C(=O)C(C(=NNC(=S)N)C(=O)OC)C(=O)OC

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)C(=O)C(/C(=N/NC(=S)N)/C(=O)OC)C(=O)OC

InChI

InChI=1S/C16H18N4O6S/c1-8-4-6-9(7-5-8)18-13(22)12(21)10(14(23)25-2)11(15(24)26-3)19-20-16(17)27/h4-7,10H,1-3H3,(H,18,22)(H3,17,20,27)/b19-11-