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

Systemtic Name: 2-(3-ethyl-4-oxidanylidene-quinazolin-2-yl)sulfanyl-N-(4-sulfamoylphenyl)butanamide Openeye Name: 2-(3-ethyl-4-oxo-quinazolin-2-yl)sulfanyl-N-(4-sulfamoylphenyl)butanamide CAS Name: 2-[(3-ethyl-4-oxo-2-quinazolinyl)thio]-N-(4-sulfamoylphenyl)butanamide IUPAC Name: 2-(3-ethyl-4-oxoquinazolin-2-yl)sulfanyl-N-(4-sulfamoylphenyl)butanamide Traditional Name: 2-[(3-ethyl-4-keto-quinazolin-2-yl)thio]-N-(4-sulfamoylphenyl)butyramide Formula: C20H22N4O4S2 MolecularWeight: 446.54308

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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)N2CC

Isomeric SMILES

CCC(C(=O)NC1=CC=C(C=C1)S(=O)(=O)N)SC2=NC3=CC=CC=C3C(=O)N2CC

InChI

InChI=1S/C20H22N4O4S2/c1-3-17(18(25)22-13-9-11-14(12-10-13)30(21,27)28)29-20-23-16-8-6-5-7-15(16)19(26)24(20)4-2/h5-12,17H,3-4H2,1-2H3,(H,22,25)(H2,21,27,28)