3-(1,3-benzodioxol-5-ylmethyl)-7-(2,3-dihydroindol-1-ylcarbonyl)-2-sulfanylidene-1H-quinazolin-4-one

Systemtic Name: 3-(1,3-benzodioxol-5-ylmethyl)-7-(2,3-dihydroindol-1-ylcarbonyl)-2-sulfanylidene-1H-quinazolin-4-one Openeye Name: 3-(1,3-benzodioxol-5-ylmethyl)-7-(indoline-1-carbonyl)-2-thioxo-1H-quinazolin-4-one CAS Name: 3-(1,3-benzodioxol-5-ylmethyl)-7-[2,3-dihydroindol-1-yl(oxo)methyl]-2-sulfanylidene-1H-quinazolin-4-one IUPAC Name: 3-(1,3-benzodioxol-5-ylmethyl)-7-(2,3-dihydroindole-1-carbonyl)-2-sulfanylidene-1H-quinazolin-4-one Traditional Name: 7-(indoline-1-carbonyl)-3-piperonyl-2-thioxo-1H-quinazolin-4-one Formula: C25H19N3O4S MolecularWeight: 457.50106

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C2=CC=CC=C21)C(=O)C3=CC4=C(C=C3)C(=O)N(C(=S)N4)CC5=CC6=C(C=C5)OCO6

Isomeric SMILES

C1CN(C2=CC=CC=C21)C(=O)C3=CC4=C(C=C3)C(=O)N(C(=S)N4)CC5=CC6=C(C=C5)OCO6

InChI

InChI=1S/C25H19N3O4S/c29-23(27-10-9-16-3-1-2-4-20(16)27)17-6-7-18-19(12-17)26-25(33)28(24(18)30)13-15-5-8-21-22(11-15)32-14-31-21/h1-8,11-12H,9-10,13-14H2,(H,26,33)