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

Systemtic Name: 2-[3-(1,3-benzodioxol-5-yl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-(2,4-dimethoxyphenyl)ethanamide Openeye Name: 2-[3-(1,3-benzodioxol-5-yl)-4-oxo-quinazolin-2-yl]sulfanyl-N-(2,4-dimethoxyphenyl)acetamide CAS Name: 2-[[3-(1,3-benzodioxol-5-yl)-4-oxo-2-quinazolinyl]thio]-N-(2,4-dimethoxyphenyl)acetamide IUPAC Name: 2-[3-(1,3-benzodioxol-5-yl)-4-oxoquinazolin-2-yl]sulfanyl-N-(2,4-dimethoxyphenyl)acetamide Traditional Name: 2-[[3-(1,3-benzodioxol-5-yl)-4-keto-quinazolin-2-yl]thio]-N-(2,4-dimethoxyphenyl)acetamide Formula: C25H21N3O6S MolecularWeight: 491.51574

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)NC(=O)CSC2=NC3=CC=CC=C3C(=O)N2C4=CC5=C(C=C4)OCO5)OC

Isomeric SMILES

COC1=CC(=C(C=C1)NC(=O)CSC2=NC3=CC=CC=C3C(=O)N2C4=CC5=C(C=C4)OCO5)OC

InChI

InChI=1S/C25H21N3O6S/c1-31-16-8-9-19(21(12-16)32-2)26-23(29)13-35-25-27-18-6-4-3-5-17(18)24(30)28(25)15-7-10-20-22(11-15)34-14-33-20/h3-12H,13-14H2,1-2H3,(H,26,29)