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

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-3-(3,4-dimethoxyphenyl)-4-oxidanylidene-2-sulfanylidene-1H-quinazoline-7-carboxamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-3-(3,4-dimethoxyphenyl)-4-oxo-2-thioxo-1H-quinazoline-7-carboxamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-3-(3,4-dimethoxyphenyl)-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-3-(3,4-dimethoxyphenyl)-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide Traditional Name: 3-(3,4-dimethoxyphenyl)-4-keto-N-piperonyl-2-thioxo-1H-quinazoline-7-carboxamide Formula: C25H21N3O6S MolecularWeight: 491.51574

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)N2C(=O)C3=C(C=C(C=C3)C(=O)NCC4=CC5=C(C=C4)OCO5)NC2=S)OC

Isomeric SMILES

COC1=C(C=C(C=C1)N2C(=O)C3=C(C=C(C=C3)C(=O)NCC4=CC5=C(C=C4)OCO5)NC2=S)OC

InChI

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