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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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