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

Systemtic Name: 2-[(3-oxidanylidenebenzo[f]chromen-1-yl)methylsulfanyl]-3-(3-oxidanylpropyl)quinazolin-4-one Openeye Name: 3-(3-hydroxypropyl)-2-[(3-oxobenzo[f]chromen-1-yl)methylsulfanyl]quinazolin-4-one CAS Name: 3-(3-hydroxypropyl)-2-[(3-oxo-1-benzo[f][1]benzopyranyl)methylthio]-4-quinazolinone IUPAC Name: 3-(3-hydroxypropyl)-2-[(3-oxobenzo[f]chromen-1-yl)methylsulfanyl]quinazolin-4-one Traditional Name: 3-(3-hydroxypropyl)-2-[(3-ketobenzo[f]chromen-1-yl)methylthio]quinazolin-4-one Formula: C25H20N2O4S MolecularWeight: 444.5023

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CC3=C2C(=CC(=O)O3)CSC4=NC5=CC=CC=C5C(=O)N4CCCO

Isomeric SMILES

C1=CC=C2C(=C1)C=CC3=C2C(=CC(=O)O3)CSC4=NC5=CC=CC=C5C(=O)N4CCCO

InChI

InChI=1S/C25H20N2O4S/c28-13-5-12-27-24(30)19-8-3-4-9-20(19)26-25(27)32-15-17-14-22(29)31-21-11-10-16-6-1-2-7-18(16)23(17)21/h1-4,6-11,14,28H,5,12-13,15H2