3-(1,3-benzodioxol-5-yl)-2-[(5-ethanoyl-2-methoxy-phenyl)methylsulfanyl]quinazolin-4-one

Systemtic Name: 3-(1,3-benzodioxol-5-yl)-2-[(5-ethanoyl-2-methoxy-phenyl)methylsulfanyl]quinazolin-4-one Openeye Name: 2-[(5-acetyl-2-methoxy-phenyl)methylsulfanyl]-3-(1,3-benzodioxol-5-yl)quinazolin-4-one CAS Name: 2-[(5-acetyl-2-methoxyphenyl)methylthio]-3-(1,3-benzodioxol-5-yl)-4-quinazolinone IUPAC Name: 2-[(5-acetyl-2-methoxyphenyl)methylsulfanyl]-3-(1,3-benzodioxol-5-yl)quinazolin-4-one Traditional Name: 2-[(5-acetyl-2-methoxy-benzyl)thio]-3-(1,3-benzodioxol-5-yl)quinazolin-4-one Formula: C25H20N2O5S MolecularWeight: 460.5017

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=C(C=C1)OC)CSC2=NC3=CC=CC=C3C(=O)N2C4=CC5=C(C=C4)OCO5

Isomeric SMILES

CC(=O)C1=CC(=C(C=C1)OC)CSC2=NC3=CC=CC=C3C(=O)N2C4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C25H20N2O5S/c1-15(28)16-7-9-21(30-2)17(11-16)13-33-25-26-20-6-4-3-5-19(20)24(29)27(25)18-8-10-22-23(12-18)32-14-31-22/h3-12H,13-14H2,1-2H3