2-azanyl-3-[(4-sulfophenyl)carbamothioyl]benzenesulfonic acid

Systemtic Name: 2-azanyl-3-[(4-sulfophenyl)carbamothioyl]benzenesulfonic acid Openeye Name: 2-amino-3-[(4-sulfophenyl)carbamothioyl]benzenesulfonic acid CAS Name: 2-amino-3-[sulfanylidene-(4-sulfoanilino)methyl]benzenesulfonic acid IUPAC Name: 2-amino-3-[(4-sulfophenyl)carbamothioyl]benzenesulfonic acid Traditional Name: 2-amino-3-[(4-sulfophenyl)thiocarbamoyl]besylic acid Formula: C13H12N2O6S3 MolecularWeight: 388.43918

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C(=C1)S(=O)(=O)O)N)C(=S)NC2=CC=C(C=C2)S(=O)(=O)O

Isomeric SMILES

C1=CC(=C(C(=C1)S(=O)(=O)O)N)C(=S)NC2=CC=C(C=C2)S(=O)(=O)O

InChI

InChI=1S/C13H12N2O6S3/c14-12-10(2-1-3-11(12)24(19,20)21)13(22)15-8-4-6-9(7-5-8)23(16,17)18/h1-7H,14H2,(H,15,22)(H,16,17,18)(H,19,20,21)