3-(1,3-benzodioxol-5-ylmethyl)-4-oxidanylidene-N-[2-(4-sulfamoylphenyl)ethyl]-2-sulfanylidene-1H-quinazoline-7-carboxamide

Systemtic Name: 3-(1,3-benzodioxol-5-ylmethyl)-4-oxidanylidene-N-[2-(4-sulfamoylphenyl)ethyl]-2-sulfanylidene-1H-quinazoline-7-carboxamide Openeye Name: 3-(1,3-benzodioxol-5-ylmethyl)-4-oxo-N-[2-(4-sulfamoylphenyl)ethyl]-2-thioxo-1H-quinazoline-7-carboxamide CAS Name: 3-(1,3-benzodioxol-5-ylmethyl)-4-oxo-N-[2-(4-sulfamoylphenyl)ethyl]-2-sulfanylidene-1H-quinazoline-7-carboxamide IUPAC Name: 3-(1,3-benzodioxol-5-ylmethyl)-4-oxo-N-[2-(4-sulfamoylphenyl)ethyl]-2-sulfanylidene-1H-quinazoline-7-carboxamide Traditional Name: 4-keto-3-piperonyl-N-[2-(4-sulfamoylphenyl)ethyl]-2-thioxo-1H-quinazoline-7-carboxamide Formula: C25H22N4O6S2 MolecularWeight: 538.59538

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CN3C(=O)C4=C(C=C(C=C4)C(=O)NCCC5=CC=C(C=C5)S(=O)(=O)N)NC3=S

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CN3C(=O)C4=C(C=C(C=C4)C(=O)NCCC5=CC=C(C=C5)S(=O)(=O)N)NC3=S

InChI

InChI=1S/C25H22N4O6S2/c26-37(32,33)18-5-1-15(2-6-18)9-10-27-23(30)17-4-7-19-20(12-17)28-25(36)29(24(19)31)13-16-3-8-21-22(11-16)35-14-34-21/h1-8,11-12H,9-10,13-14H2,(H,27,30)(H,28,36)(H2,26,32,33)