4-[N-(methylcarbamothioylamino)-C-[(methylcarbamothioylhydrazinylidene)methyl]carbonimidoyl]benzoic acid

Systemtic Name: 4-[N-(methylcarbamothioylamino)-C-[(methylcarbamothioylhydrazinylidene)methyl]carbonimidoyl]benzoic acid Openeye Name: 4-[N-(methylcarbamothioylamino)-C-[(methylcarbamothioylhydrazono)methyl]carbonimidoyl]benzoic acid CAS Name: 4-[1,2-bis[[methylamino(sulfanylidene)methyl]hydrazinylidene]ethyl]benzoic acid IUPAC Name: 4-[N-(methylcarbamothioylamino)-C-[(methylcarbamothioylhydrazinylidene)methyl]carbonimidoyl]benzoic acid Traditional Name: 4-[N-(methylthiocarbamoylamino)-C-[(methylthiocarbamoylhydrazono)methyl]carbonimidoyl]benzoic acid Formula: C13H16N6O2S2 MolecularWeight: 352.43514

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=S)NN=CC(=NNC(=S)NC)C1=CC=C(C=C1)C(=O)O

Isomeric SMILES

CNC(=S)NN=CC(=NNC(=S)NC)C1=CC=C(C=C1)C(=O)O

InChI

InChI=1S/C13H16N6O2S2/c1-14-12(22)18-16-7-10(17-19-13(23)15-2)8-3-5-9(6-4-8)11(20)21/h3-7H,1-2H3,(H,20,21)(H2,14,18,22)(H2,15,19,23)