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

Systemtic Name: 2-[2-(1,3-benzodioxol-5-yl)-2-oxidanylidene-ethyl]sulfanyl-3-[(3,4-dimethoxyphenyl)methyl]quinazolin-4-one Openeye Name: 2-[2-(1,3-benzodioxol-5-yl)-2-oxo-ethyl]sulfanyl-3-[(3,4-dimethoxyphenyl)methyl]quinazolin-4-one CAS Name: 2-[[2-(1,3-benzodioxol-5-yl)-2-oxoethyl]thio]-3-[(3,4-dimethoxyphenyl)methyl]-4-quinazolinone IUPAC Name: 2-[2-(1,3-benzodioxol-5-yl)-2-oxoethyl]sulfanyl-3-[(3,4-dimethoxyphenyl)methyl]quinazolin-4-one Traditional Name: 2-[[2-(1,3-benzodioxol-5-yl)-2-keto-ethyl]thio]-3-veratryl-quinazolin-4-one Formula: C26H22N2O6S MolecularWeight: 490.52768

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CN2C(=O)C3=CC=CC=C3N=C2SCC(=O)C4=CC5=C(C=C4)OCO5)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CN2C(=O)C3=CC=CC=C3N=C2SCC(=O)C4=CC5=C(C=C4)OCO5)OC

InChI

InChI=1S/C26H22N2O6S/c1-31-21-9-7-16(11-23(21)32-2)13-28-25(30)18-5-3-4-6-19(18)27-26(28)35-14-20(29)17-8-10-22-24(12-17)34-15-33-22/h3-12H,13-15H2,1-2H3