2-[3-(1,3-benzodioxol-5-yl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-[2-(4-sulfamoylphenyl)ethyl]ethanamide

Systemtic Name: 2-[3-(1,3-benzodioxol-5-yl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-[2-(4-sulfamoylphenyl)ethyl]ethanamide Openeye Name: 2-[3-(1,3-benzodioxol-5-yl)-4-oxo-quinazolin-2-yl]sulfanyl-N-[2-(4-sulfamoylphenyl)ethyl]acetamide CAS Name: 2-[[3-(1,3-benzodioxol-5-yl)-4-oxo-2-quinazolinyl]thio]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide IUPAC Name: 2-[3-(1,3-benzodioxol-5-yl)-4-oxoquinazolin-2-yl]sulfanyl-N-[2-(4-sulfamoylphenyl)ethyl]acetamide Traditional Name: 2-[[3-(1,3-benzodioxol-5-yl)-4-keto-quinazolin-2-yl]thio]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide Formula: C25H22N4O6S2 MolecularWeight: 538.59538

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)N3C(=O)C4=CC=CC=C4N=C3SCC(=O)NCCC5=CC=C(C=C5)S(=O)(=O)N

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)N3C(=O)C4=CC=CC=C4N=C3SCC(=O)NCCC5=CC=C(C=C5)S(=O)(=O)N

InChI

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