2-azanyl-3-(phenylcarbamothioyl)-6-(2-sulfophenyl)benzenesulfonic acid

Systemtic Name: 2-azanyl-3-(phenylcarbamothioyl)-6-(2-sulfophenyl)benzenesulfonic acid Openeye Name: 2-amino-3-(phenylcarbamothioyl)-6-(2-sulfophenyl)benzenesulfonic acid CAS Name: 2-amino-3-[anilino(sulfanylidene)methyl]-6-(2-sulfophenyl)benzenesulfonic acid IUPAC Name: 2-amino-3-(phenylcarbamothioyl)-6-(2-sulfophenyl)benzenesulfonic acid Traditional Name: 2-amino-3-(phenylthiocarbamoyl)-6-(2-sulfophenyl)besylic acid Formula: C19H16N2O6S3 MolecularWeight: 464.53514

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NC(=S)C2=C(C(=C(C=C2)C3=CC=CC=C3S(=O)(=O)O)S(=O)(=O)O)N

Isomeric SMILES

C1=CC=C(C=C1)NC(=S)C2=C(C(=C(C=C2)C3=CC=CC=C3S(=O)(=O)O)S(=O)(=O)O)N

InChI

InChI=1S/C19H16N2O6S3/c20-17-15(19(28)21-12-6-2-1-3-7-12)11-10-14(18(17)30(25,26)27)13-8-4-5-9-16(13)29(22,23)24/h1-11H,20H2,(H,21,28)(H,22,23,24)(H,25,26,27)