4-[2-[2-(3,3-dimethyl-2-oxidanylidene-butyl)sulfanyl-4-oxidanylidene-quinazolin-3-yl]ethyl]benzenesulfonamide

Systemtic Name: 4-[2-[2-(3,3-dimethyl-2-oxidanylidene-butyl)sulfanyl-4-oxidanylidene-quinazolin-3-yl]ethyl]benzenesulfonamide Openeye Name: 4-[2-[2-(3,3-dimethyl-2-oxo-butyl)sulfanyl-4-oxo-quinazolin-3-yl]ethyl]benzenesulfonamide CAS Name: 4-[2-[2-[(3,3-dimethyl-2-oxobutyl)thio]-4-oxo-3-quinazolinyl]ethyl]benzenesulfonamide IUPAC Name: 4-[2-[2-(3,3-dimethyl-2-oxobutyl)sulfanyl-4-oxoquinazolin-3-yl]ethyl]benzenesulfonamide Traditional Name: 4-[2-[4-keto-2-[(2-keto-3,3-dimethyl-butyl)thio]quinazolin-3-yl]ethyl]benzenesulfonamide Formula: C22H25N3O4S2 MolecularWeight: 459.5816

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)CSC1=NC2=CC=CC=C2C(=O)N1CCC3=CC=C(C=C3)S(=O)(=O)N

Isomeric SMILES

CC(C)(C)C(=O)CSC1=NC2=CC=CC=C2C(=O)N1CCC3=CC=C(C=C3)S(=O)(=O)N

InChI

InChI=1S/C22H25N3O4S2/c1-22(2,3)19(26)14-30-21-24-18-7-5-4-6-17(18)20(27)25(21)13-12-15-8-10-16(11-9-15)31(23,28)29/h4-11H,12-14H2,1-3H3,(H2,23,28,29)