3-(1,3-benzodioxol-5-ylmethyl)-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-4-oxidanylidene-2-sulfanylidene-1H-quinazoline-7-carboxamide

Systemtic Name: 3-(1,3-benzodioxol-5-ylmethyl)-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-4-oxidanylidene-2-sulfanylidene-1H-quinazoline-7-carboxamide Openeye Name: 3-(1,3-benzodioxol-5-ylmethyl)-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-4-oxo-2-thioxo-1H-quinazoline-7-carboxamide CAS Name: 3-(1,3-benzodioxol-5-ylmethyl)-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide IUPAC Name: 3-(1,3-benzodioxol-5-ylmethyl)-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide Traditional Name: N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-4-keto-3-piperonyl-2-thioxo-1H-quinazoline-7-carboxamide Formula: C26H21N3O6S MolecularWeight: 503.52644

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Descriptors Computed from Structure

Canonical SMILES:

C1C(OC2=CC=CC=C2O1)CNC(=O)C3=CC4=C(C=C3)C(=O)N(C(=S)N4)CC5=CC6=C(C=C5)OCO6

Isomeric SMILES

C1C(OC2=CC=CC=C2O1)CNC(=O)C3=CC4=C(C=C3)C(=O)N(C(=S)N4)CC5=CC6=C(C=C5)OCO6

InChI

InChI=1S/C26H21N3O6S/c30-24(27-11-17-13-32-20-3-1-2-4-22(20)35-17)16-6-7-18-19(10-16)28-26(36)29(25(18)31)12-15-5-8-21-23(9-15)34-14-33-21/h1-10,17H,11-14H2,(H,27,30)(H,28,36)