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

Systemtic Name: methyl 4-oxidanylidene-3-[[4-[2-(4-sulfamoylphenyl)ethylcarbamoyl]phenyl]methyl]-2-sulfanylidene-1H-quinazoline-7-carboxylate Openeye Name: methyl 4-oxo-3-[[4-[2-(4-sulfamoylphenyl)ethylcarbamoyl]phenyl]methyl]-2-thioxo-1H-quinazoline-7-carboxylate CAS Name: 4-oxo-3-[[4-[oxo-[2-(4-sulfamoylphenyl)ethylamino]methyl]phenyl]methyl]-2-sulfanylidene-1H-quinazoline-7-carboxylic acid methyl ester IUPAC Name: methyl 4-oxo-3-[[4-[2-(4-sulfamoylphenyl)ethylcarbamoyl]phenyl]methyl]-2-sulfanylidene-1H-quinazoline-7-carboxylate Traditional Name: 4-keto-3-[4-[2-(4-sulfamoylphenyl)ethylcarbamoyl]benzyl]-2-thioxo-1H-quinazoline-7-carboxylic acid methyl ester Formula: C26H24N4O6S2 MolecularWeight: 552.62196

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=C(C=C1)C(=O)N(C(=S)N2)CC3=CC=C(C=C3)C(=O)NCCC4=CC=C(C=C4)S(=O)(=O)N

Isomeric SMILES

COC(=O)C1=CC2=C(C=C1)C(=O)N(C(=S)N2)CC3=CC=C(C=C3)C(=O)NCCC4=CC=C(C=C4)S(=O)(=O)N

InChI

InChI=1S/C26H24N4O6S2/c1-36-25(33)19-8-11-21-22(14-19)29-26(37)30(24(21)32)15-17-2-6-18(7-3-17)23(31)28-13-12-16-4-9-20(10-5-16)38(27,34)35/h2-11,14H,12-13,15H2,1H3,(H,28,31)(H,29,37)(H2,27,34,35)