methyl 2-[2-(4-bromophenyl)-2-oxidanylidene-ethyl]sulfanyl-4-oxidanylidene-3-[2-(4-sulfamoylphenyl)ethyl]quinazoline-7-carboxylate

Systemtic Name: methyl 2-[2-(4-bromophenyl)-2-oxidanylidene-ethyl]sulfanyl-4-oxidanylidene-3-[2-(4-sulfamoylphenyl)ethyl]quinazoline-7-carboxylate Openeye Name: methyl 2-[2-(4-bromophenyl)-2-oxo-ethyl]sulfanyl-4-oxo-3-[2-(4-sulfamoylphenyl)ethyl]quinazoline-7-carboxylate CAS Name: 2-[[2-(4-bromophenyl)-2-oxoethyl]thio]-4-oxo-3-[2-(4-sulfamoylphenyl)ethyl]-7-quinazolinecarboxylic acid methyl ester IUPAC Name: methyl 2-[2-(4-bromophenyl)-2-oxoethyl]sulfanyl-4-oxo-3-[2-(4-sulfamoylphenyl)ethyl]quinazoline-7-carboxylate Traditional Name: 2-[[2-(4-bromophenyl)-2-keto-ethyl]thio]-4-keto-3-[2-(4-sulfamoylphenyl)ethyl]quinazoline-7-carboxylic acid methyl ester Formula: C26H22BrN3O6S2 MolecularWeight: 616.50338

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=C(C=C1)C(=O)N(C(=N2)SCC(=O)C3=CC=C(C=C3)Br)CCC4=CC=C(C=C4)S(=O)(=O)N

Isomeric SMILES

COC(=O)C1=CC2=C(C=C1)C(=O)N(C(=N2)SCC(=O)C3=CC=C(C=C3)Br)CCC4=CC=C(C=C4)S(=O)(=O)N

InChI

InChI=1S/C26H22BrN3O6S2/c1-36-25(33)18-6-11-21-22(14-18)29-26(37-15-23(31)17-4-7-19(27)8-5-17)30(24(21)32)13-12-16-2-9-20(10-3-16)38(28,34)35/h2-11,14H,12-13,15H2,1H3,(H2,28,34,35)