2-[(7-methoxy-2-oxidanylidene-chromen-4-yl)methylsulfanyl]-3-(3-methylbutyl)quinazolin-4-one

Systemtic Name: 2-[(7-methoxy-2-oxidanylidene-chromen-4-yl)methylsulfanyl]-3-(3-methylbutyl)quinazolin-4-one Openeye Name: 3-isopentyl-2-[(7-methoxy-2-oxo-chromen-4-yl)methylsulfanyl]quinazolin-4-one CAS Name: 2-[(7-methoxy-2-oxo-1-benzopyran-4-yl)methylthio]-3-(3-methylbutyl)-4-quinazolinone IUPAC Name: 2-[(7-methoxy-2-oxochromen-4-yl)methylsulfanyl]-3-(3-methylbutyl)quinazolin-4-one Traditional Name: 3-isoamyl-2-[(2-keto-7-methoxy-chromen-4-yl)methylthio]quinazolin-4-one Formula: C24H24N2O4S MolecularWeight: 436.52336

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCN1C(=O)C2=CC=CC=C2N=C1SCC3=CC(=O)OC4=C3C=CC(=C4)OC

Isomeric SMILES

CC(C)CCN1C(=O)C2=CC=CC=C2N=C1SCC3=CC(=O)OC4=C3C=CC(=C4)OC

InChI

InChI=1S/C24H24N2O4S/c1-15(2)10-11-26-23(28)19-6-4-5-7-20(19)25-24(26)31-14-16-12-22(27)30-21-13-17(29-3)8-9-18(16)21/h4-9,12-13,15H,10-11,14H2,1-3H3