4-oxidanylidene-3-[[4-[2-(4-sulfamoylphenyl)ethylcarbamoyl]phenyl]methyl]-2-sulfanylidene-1H-quinazoline-7-carboxylic acid

Systemtic Name: 4-oxidanylidene-3-[[4-[2-(4-sulfamoylphenyl)ethylcarbamoyl]phenyl]methyl]-2-sulfanylidene-1H-quinazoline-7-carboxylic acid Openeye Name: 4-oxo-3-[[4-[2-(4-sulfamoylphenyl)ethylcarbamoyl]phenyl]methyl]-2-thioxo-1H-quinazoline-7-carboxylic acid CAS Name: 4-oxo-3-[[4-[oxo-[2-(4-sulfamoylphenyl)ethylamino]methyl]phenyl]methyl]-2-sulfanylidene-1H-quinazoline-7-carboxylic acid IUPAC Name: 4-oxo-3-[[4-[2-(4-sulfamoylphenyl)ethylcarbamoyl]phenyl]methyl]-2-sulfanylidene-1H-quinazoline-7-carboxylic acid Traditional Name: 4-keto-3-[4-[2-(4-sulfamoylphenyl)ethylcarbamoyl]benzyl]-2-thioxo-1H-quinazoline-7-carboxylic acid Formula: C25H22N4O6S2 MolecularWeight: 538.59538

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CCNC(=O)C2=CC=C(C=C2)CN3C(=O)C4=C(C=C(C=C4)C(=O)O)NC3=S)S(=O)(=O)N

Isomeric SMILES

C1=CC(=CC=C1CCNC(=O)C2=CC=C(C=C2)CN3C(=O)C4=C(C=C(C=C4)C(=O)O)NC3=S)S(=O)(=O)N

InChI

InChI=1S/C25H22N4O6S2/c26-37(34,35)19-8-3-15(4-9-19)11-12-27-22(30)17-5-1-16(2-6-17)14-29-23(31)20-10-7-18(24(32)33)13-21(20)28-25(29)36/h1-10,13H,11-12,14H2,(H,27,30)(H,28,36)(H,32,33)(H2,26,34,35)