methyl 2-[(4-tert-butylphenyl)methylsulfanyl]-4-oxidanylidene-3-[2-(4-sulfamoylphenyl)ethyl]quinazoline-7-carboxylate

Systemtic Name: methyl 2-[(4-tert-butylphenyl)methylsulfanyl]-4-oxidanylidene-3-[2-(4-sulfamoylphenyl)ethyl]quinazoline-7-carboxylate Openeye Name: methyl 2-[(4-tert-butylphenyl)methylsulfanyl]-4-oxo-3-[2-(4-sulfamoylphenyl)ethyl]quinazoline-7-carboxylate CAS Name: 2-[(4-tert-butylphenyl)methylthio]-4-oxo-3-[2-(4-sulfamoylphenyl)ethyl]-7-quinazolinecarboxylic acid methyl ester IUPAC Name: methyl 2-[(4-tert-butylphenyl)methylsulfanyl]-4-oxo-3-[2-(4-sulfamoylphenyl)ethyl]quinazoline-7-carboxylate Traditional Name: 2-[(4-tert-butylbenzyl)thio]-4-keto-3-[2-(4-sulfamoylphenyl)ethyl]quinazoline-7-carboxylic acid methyl ester Formula: C29H31N3O5S2 MolecularWeight: 565.70354

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)CSC2=NC3=C(C=CC(=C3)C(=O)OC)C(=O)N2CCC4=CC=C(C=C4)S(=O)(=O)N

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)CSC2=NC3=C(C=CC(=C3)C(=O)OC)C(=O)N2CCC4=CC=C(C=C4)S(=O)(=O)N

InChI

InChI=1S/C29H31N3O5S2/c1-29(2,3)22-10-5-20(6-11-22)18-38-28-31-25-17-21(27(34)37-4)9-14-24(25)26(33)32(28)16-15-19-7-12-23(13-8-19)39(30,35)36/h5-14,17H,15-16,18H2,1-4H3,(H2,30,35,36)