2-(3,3-dimethyl-2-oxidanylidene-butyl)sulfanyl-3-[(4-methoxyphenyl)methyl]quinazolin-4-one

Systemtic Name: 2-(3,3-dimethyl-2-oxidanylidene-butyl)sulfanyl-3-[(4-methoxyphenyl)methyl]quinazolin-4-one Openeye Name: 2-(3,3-dimethyl-2-oxo-butyl)sulfanyl-3-[(4-methoxyphenyl)methyl]quinazolin-4-one CAS Name: 2-[(3,3-dimethyl-2-oxobutyl)thio]-3-[(4-methoxyphenyl)methyl]-4-quinazolinone IUPAC Name: 2-(3,3-dimethyl-2-oxobutyl)sulfanyl-3-[(4-methoxyphenyl)methyl]quinazolin-4-one Traditional Name: 2-[(2-keto-3,3-dimethyl-butyl)thio]-3-p-anisyl-quinazolin-4-one Formula: C22H24N2O3S MolecularWeight: 396.50256

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)CSC1=NC2=CC=CC=C2C(=O)N1CC3=CC=C(C=C3)OC

Isomeric SMILES

CC(C)(C)C(=O)CSC1=NC2=CC=CC=C2C(=O)N1CC3=CC=C(C=C3)OC

InChI

InChI=1S/C22H24N2O3S/c1-22(2,3)19(25)14-28-21-23-18-8-6-5-7-17(18)20(26)24(21)13-15-9-11-16(27-4)12-10-15/h5-12H,13-14H2,1-4H3