2-(3,3-dimethyl-2-oxidanylidene-butyl)sulfanyl-3-(1-phenylbutan-2-yl)quinazolin-4-one

Systemtic Name: 2-(3,3-dimethyl-2-oxidanylidene-butyl)sulfanyl-3-(1-phenylbutan-2-yl)quinazolin-4-one Openeye Name: 3-(1-benzylpropyl)-2-(3,3-dimethyl-2-oxo-butyl)sulfanyl-quinazolin-4-one CAS Name: 2-[(3,3-dimethyl-2-oxobutyl)thio]-3-(1-phenylbutan-2-yl)-4-quinazolinone IUPAC Name: 2-(3,3-dimethyl-2-oxobutyl)sulfanyl-3-(1-phenylbutan-2-yl)quinazolin-4-one Traditional Name: 3-(1-benzylpropyl)-2-[(2-keto-3,3-dimethyl-butyl)thio]quinazolin-4-one Formula: C24H28N2O2S MolecularWeight: 408.55632

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC1=CC=CC=C1)N2C(=O)C3=CC=CC=C3N=C2SCC(=O)C(C)(C)C

Isomeric SMILES

CCC(CC1=CC=CC=C1)N2C(=O)C3=CC=CC=C3N=C2SCC(=O)C(C)(C)C

InChI

InChI=1S/C24H28N2O2S/c1-5-18(15-17-11-7-6-8-12-17)26-22(28)19-13-9-10-14-20(19)25-23(26)29-16-21(27)24(2,3)4/h6-14,18H,5,15-16H2,1-4H3