1-[(4-chloranyl-3-sulfamoyl-phenyl)carbonylamino]-2-sulfanylidene-3H-benzimidazole-5-carboxylic acid hydrate

Systemtic Name: 1-[(4-chloranyl-3-sulfamoyl-phenyl)carbonylamino]-2-sulfanylidene-3H-benzimidazole-5-carboxylic acid hydrate Openeye Name: 1-[(4-chloro-3-sulfamoyl-benzoyl)amino]-2-thioxo-3H-benzimidazole-5-carboxylic acid hydrate CAS Name: 1-[[(4-chloro-3-sulfamoylphenyl)-oxomethyl]amino]-2-sulfanylidene-3H-benzimidazole-5-carboxylic acid hydrate IUPAC Name: 1-[(4-chloro-3-sulfamoylbenzoyl)amino]-2-sulfanylidene-3H-benzimidazole-5-carboxylic acid hydrate Traditional Name: 1-[(4-chloro-3-sulfamoyl-benzoyl)amino]-2-thioxo-3H-benzimidazole-5-carboxylic acid hydrate Formula: C15H13ClN4O6S2 MolecularWeight: 444.86992

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1C(=O)O)NC(=S)N2NC(=O)C3=CC(=C(C=C3)Cl)S(=O)(=O)N.O

Isomeric SMILES

C1=CC2=C(C=C1C(=O)O)NC(=S)N2NC(=O)C3=CC(=C(C=C3)Cl)S(=O)(=O)N.O

InChI

InChI=1S/C15H11ClN4O5S2.H2O/c16-9-3-1-7(6-12(9)27(17,24)25)13(21)19-20-11-4-2-8(14(22)23)5-10(11)18-15(20)26;/h1-6H,(H,18,26)(H,19,21)(H,22,23)(H2,17,24,25);1H2