3-(2-methylpropyl)-2-[(3-oxidanylidenebenzo[f]chromen-1-yl)methylsulfanyl]quinazolin-4-one

Systemtic Name: 3-(2-methylpropyl)-2-[(3-oxidanylidenebenzo[f]chromen-1-yl)methylsulfanyl]quinazolin-4-one Openeye Name: 3-isobutyl-2-[(3-oxobenzo[f]chromen-1-yl)methylsulfanyl]quinazolin-4-one CAS Name: 3-(2-methylpropyl)-2-[(3-oxo-1-benzo[f][1]benzopyranyl)methylthio]-4-quinazolinone IUPAC Name: 3-(2-methylpropyl)-2-[(3-oxobenzo[f]chromen-1-yl)methylsulfanyl]quinazolin-4-one Traditional Name: 3-isobutyl-2-[(3-ketobenzo[f]chromen-1-yl)methylthio]quinazolin-4-one Formula: C26H22N2O3S MolecularWeight: 442.52948

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C(=O)C2=CC=CC=C2N=C1SCC3=CC(=O)OC4=C3C5=CC=CC=C5C=C4

Isomeric SMILES

CC(C)CN1C(=O)C2=CC=CC=C2N=C1SCC3=CC(=O)OC4=C3C5=CC=CC=C5C=C4

InChI

InChI=1S/C26H22N2O3S/c1-16(2)14-28-25(30)20-9-5-6-10-21(20)27-26(28)32-15-18-13-23(29)31-22-12-11-17-7-3-4-8-19(17)24(18)22/h3-13,16H,14-15H2,1-2H3