3-(3,4-dimethoxyphenyl)-2-(3,3-dimethyl-2-oxidanylidene-butyl)sulfanyl-quinazolin-4-one

Systemtic Name: 3-(3,4-dimethoxyphenyl)-2-(3,3-dimethyl-2-oxidanylidene-butyl)sulfanyl-quinazolin-4-one Openeye Name: 3-(3,4-dimethoxyphenyl)-2-(3,3-dimethyl-2-oxo-butyl)sulfanyl-quinazolin-4-one CAS Name: 3-(3,4-dimethoxyphenyl)-2-[(3,3-dimethyl-2-oxobutyl)thio]-4-quinazolinone IUPAC Name: 3-(3,4-dimethoxyphenyl)-2-(3,3-dimethyl-2-oxobutyl)sulfanylquinazolin-4-one Traditional Name: 3-(3,4-dimethoxyphenyl)-2-[(2-keto-3,3-dimethyl-butyl)thio]quinazolin-4-one Formula: C22H24N2O4S MolecularWeight: 412.50196

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)CSC1=NC2=CC=CC=C2C(=O)N1C3=CC(=C(C=C3)OC)OC

Isomeric SMILES

CC(C)(C)C(=O)CSC1=NC2=CC=CC=C2C(=O)N1C3=CC(=C(C=C3)OC)OC

InChI

InChI=1S/C22H24N2O4S/c1-22(2,3)19(25)13-29-21-23-16-9-7-6-8-15(16)20(26)24(21)14-10-11-17(27-4)18(12-14)28-5/h6-12H,13H2,1-5H3