2-[2-(1,3-benzodioxol-5-yl)-2-oxidanylidene-ethyl]sulfanyl-3-(2,5-dimethoxyphenyl)quinazolin-4-one

Systemtic Name: 2-[2-(1,3-benzodioxol-5-yl)-2-oxidanylidene-ethyl]sulfanyl-3-(2,5-dimethoxyphenyl)quinazolin-4-one Openeye Name: 2-[2-(1,3-benzodioxol-5-yl)-2-oxo-ethyl]sulfanyl-3-(2,5-dimethoxyphenyl)quinazolin-4-one CAS Name: 2-[[2-(1,3-benzodioxol-5-yl)-2-oxoethyl]thio]-3-(2,5-dimethoxyphenyl)-4-quinazolinone IUPAC Name: 2-[2-(1,3-benzodioxol-5-yl)-2-oxoethyl]sulfanyl-3-(2,5-dimethoxyphenyl)quinazolin-4-one Traditional Name: 2-[[2-(1,3-benzodioxol-5-yl)-2-keto-ethyl]thio]-3-(2,5-dimethoxyphenyl)quinazolin-4-one Formula: C25H20N2O6S MolecularWeight: 476.5011

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OC)N2C(=O)C3=CC=CC=C3N=C2SCC(=O)C4=CC5=C(C=C4)OCO5

Isomeric SMILES

COC1=CC(=C(C=C1)OC)N2C(=O)C3=CC=CC=C3N=C2SCC(=O)C4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C25H20N2O6S/c1-30-16-8-10-21(31-2)19(12-16)27-24(29)17-5-3-4-6-18(17)26-25(27)34-13-20(28)15-7-9-22-23(11-15)33-14-32-22/h3-12H,13-14H2,1-2H3