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

Systemtic Name: 3-(1,3-benzodioxol-5-ylmethyl)-4-oxidanylidene-2-sulfanylidene-N-(3,4,5-trimethoxyphenyl)-1H-quinazoline-7-carboxamide Openeye Name: 3-(1,3-benzodioxol-5-ylmethyl)-4-oxo-2-thioxo-N-(3,4,5-trimethoxyphenyl)-1H-quinazoline-7-carboxamide CAS Name: 3-(1,3-benzodioxol-5-ylmethyl)-4-oxo-2-sulfanylidene-N-(3,4,5-trimethoxyphenyl)-1H-quinazoline-7-carboxamide IUPAC Name: 3-(1,3-benzodioxol-5-ylmethyl)-4-oxo-2-sulfanylidene-N-(3,4,5-trimethoxyphenyl)-1H-quinazoline-7-carboxamide Traditional Name: 4-keto-3-piperonyl-2-thioxo-N-(3,4,5-trimethoxyphenyl)-1H-quinazoline-7-carboxamide Formula: C26H23N3O7S MolecularWeight: 521.54172

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)NC(=O)C2=CC3=C(C=C2)C(=O)N(C(=S)N3)CC4=CC5=C(C=C4)OCO5

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)NC(=O)C2=CC3=C(C=C2)C(=O)N(C(=S)N3)CC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C26H23N3O7S/c1-32-21-10-16(11-22(33-2)23(21)34-3)27-24(30)15-5-6-17-18(9-15)28-26(37)29(25(17)31)12-14-4-7-19-20(8-14)36-13-35-19/h4-11H,12-13H2,1-3H3,(H,27,30)(H,28,37)