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

Systemtic Name: 4-[N-(methylcarbamothioylamino)-C-[(methylcarbamothioylhydrazinylidene)methyl]carbonimidoyl]benzenesulfonic acid Openeye Name: 4-[N-(methylcarbamothioylamino)-C-[(methylcarbamothioylhydrazono)methyl]carbonimidoyl]benzenesulfonic acid CAS Name: 4-[1,2-bis[[methylamino(sulfanylidene)methyl]hydrazinylidene]ethyl]benzenesulfonic acid IUPAC Name: 4-[N-(methylcarbamothioylamino)-C-[(methylcarbamothioylhydrazinylidene)methyl]carbonimidoyl]benzenesulfonic acid Traditional Name: 4-[N-(methylthiocarbamoylamino)-C-[(methylthiocarbamoylhydrazono)methyl]carbonimidoyl]besylic acid Formula: C12H16N6O3S3 MolecularWeight: 388.48884

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H16N6O3S3/c1-13-11(22)17-15-7-10(16-18-12(23)14-2)8-3-5-9(6-4-8)24(19,20)21/h3-7H,1-2H3,(H2,13,17,22)(H2,14,18,23)(H,19,20,21)