2-[6-chloranyl-3-(2-methylpropyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-(3-sulfamoylphenyl)ethanamide

Systemtic Name: 2-[6-chloranyl-3-(2-methylpropyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-(3-sulfamoylphenyl)ethanamide Openeye Name: 2-(6-chloro-3-isobutyl-4-oxo-quinazolin-2-yl)sulfanyl-N-(3-sulfamoylphenyl)acetamide CAS Name: 2-[[6-chloro-3-(2-methylpropyl)-4-oxo-2-quinazolinyl]thio]-N-(3-sulfamoylphenyl)acetamide IUPAC Name: 2-[6-chloro-3-(2-methylpropyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(3-sulfamoylphenyl)acetamide Traditional Name: 2-[(6-chloro-3-isobutyl-4-keto-quinazolin-2-yl)thio]-N-(3-sulfamoylphenyl)acetamide Formula: C20H21ClN4O4S2 MolecularWeight: 480.98814

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C(=O)C2=C(C=CC(=C2)Cl)N=C1SCC(=O)NC3=CC(=CC=C3)S(=O)(=O)N

Isomeric SMILES

CC(C)CN1C(=O)C2=C(C=CC(=C2)Cl)N=C1SCC(=O)NC3=CC(=CC=C3)S(=O)(=O)N

InChI

InChI=1S/C20H21ClN4O4S2/c1-12(2)10-25-19(27)16-8-13(21)6-7-17(16)24-20(25)30-11-18(26)23-14-4-3-5-15(9-14)31(22,28)29/h3-9,12H,10-11H2,1-2H3,(H,23,26)(H2,22,28,29)