2-(3-methyl-4-oxidanylidene-quinazolin-2-yl)sulfanyl-N-(4-sulfamoylphenyl)butanamide

Systemtic Name: 2-(3-methyl-4-oxidanylidene-quinazolin-2-yl)sulfanyl-N-(4-sulfamoylphenyl)butanamide Openeye Name: 2-(3-methyl-4-oxo-quinazolin-2-yl)sulfanyl-N-(4-sulfamoylphenyl)butanamide CAS Name: 2-[(3-methyl-4-oxo-2-quinazolinyl)thio]-N-(4-sulfamoylphenyl)butanamide IUPAC Name: 2-(3-methyl-4-oxoquinazolin-2-yl)sulfanyl-N-(4-sulfamoylphenyl)butanamide Traditional Name: 2-[(4-keto-3-methyl-quinazolin-2-yl)thio]-N-(4-sulfamoylphenyl)butyramide Formula: C19H20N4O4S2 MolecularWeight: 432.5165

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=CC=C(C=C1)S(=O)(=O)N)SC2=NC3=CC=CC=C3C(=O)N2C

Isomeric SMILES

CCC(C(=O)NC1=CC=C(C=C1)S(=O)(=O)N)SC2=NC3=CC=CC=C3C(=O)N2C

InChI

InChI=1S/C19H20N4O4S2/c1-3-16(17(24)21-12-8-10-13(11-9-12)29(20,26)27)28-19-22-15-7-5-4-6-14(15)18(25)23(19)2/h4-11,16H,3H2,1-2H3,(H,21,24)(H2,20,26,27)