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

Systemtic Name: 3-(1,3-benzodioxol-5-ylmethyl)-N-(2,2-dimethoxyethyl)-4-oxidanylidene-2-sulfanylidene-1H-quinazoline-7-carboxamide Openeye Name: 3-(1,3-benzodioxol-5-ylmethyl)-N-(2,2-dimethoxyethyl)-4-oxo-2-thioxo-1H-quinazoline-7-carboxamide CAS Name: 3-(1,3-benzodioxol-5-ylmethyl)-N-(2,2-dimethoxyethyl)-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide IUPAC Name: 3-(1,3-benzodioxol-5-ylmethyl)-N-(2,2-dimethoxyethyl)-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide Traditional Name: N-(2,2-dimethoxyethyl)-4-keto-3-piperonyl-2-thioxo-1H-quinazoline-7-carboxamide Formula: C21H21N3O6S MolecularWeight: 443.47294

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Descriptors Computed from Structure

Canonical SMILES:

COC(CNC(=O)C1=CC2=C(C=C1)C(=O)N(C(=S)N2)CC3=CC4=C(C=C3)OCO4)OC

Isomeric SMILES

COC(CNC(=O)C1=CC2=C(C=C1)C(=O)N(C(=S)N2)CC3=CC4=C(C=C3)OCO4)OC

InChI

InChI=1S/C21H21N3O6S/c1-27-18(28-2)9-22-19(25)13-4-5-14-15(8-13)23-21(31)24(20(14)26)10-12-3-6-16-17(7-12)30-11-29-16/h3-8,18H,9-11H2,1-2H3,(H,22,25)(H,23,31)