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

Systemtic Name: 3-[2-(3,4-dimethoxyphenyl)ethyl]-2-(3,3-dimethyl-2-oxidanylidene-butyl)sulfanyl-quinazolin-4-one Openeye Name: 3-[2-(3,4-dimethoxyphenyl)ethyl]-2-(3,3-dimethyl-2-oxo-butyl)sulfanyl-quinazolin-4-one CAS Name: 3-[2-(3,4-dimethoxyphenyl)ethyl]-2-[(3,3-dimethyl-2-oxobutyl)thio]-4-quinazolinone IUPAC Name: 3-[2-(3,4-dimethoxyphenyl)ethyl]-2-(3,3-dimethyl-2-oxobutyl)sulfanylquinazolin-4-one Traditional Name: 3-homoveratryl-2-[(2-keto-3,3-dimethyl-butyl)thio]quinazolin-4-one Formula: C24H28N2O4S MolecularWeight: 440.55512

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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)OC)OC

Isomeric SMILES

CC(C)(C)C(=O)CSC1=NC2=CC=CC=C2C(=O)N1CCC3=CC(=C(C=C3)OC)OC

InChI

InChI=1S/C24H28N2O4S/c1-24(2,3)21(27)15-31-23-25-18-9-7-6-8-17(18)22(28)26(23)13-12-16-10-11-19(29-4)20(14-16)30-5/h6-11,14H,12-13,15H2,1-5H3