2-[4-oxidanylidene-3-(3-oxidanylpropyl)quinazolin-2-yl]sulfanyl-N-[(4-sulfamoylphenyl)methyl]ethanamide

Systemtic Name: 2-[4-oxidanylidene-3-(3-oxidanylpropyl)quinazolin-2-yl]sulfanyl-N-[(4-sulfamoylphenyl)methyl]ethanamide Openeye Name: 2-[3-(3-hydroxypropyl)-4-oxo-quinazolin-2-yl]sulfanyl-N-[(4-sulfamoylphenyl)methyl]acetamide CAS Name: 2-[[3-(3-hydroxypropyl)-4-oxo-2-quinazolinyl]thio]-N-[(4-sulfamoylphenyl)methyl]acetamide IUPAC Name: 2-[3-(3-hydroxypropyl)-4-oxoquinazolin-2-yl]sulfanyl-N-[(4-sulfamoylphenyl)methyl]acetamide Traditional Name: 2-[[3-(3-hydroxypropyl)-4-keto-quinazolin-2-yl]thio]-N-(4-sulfamoylbenzyl)acetamide Formula: C20H22N4O5S2 MolecularWeight: 462.54248

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(C(=N2)SCC(=O)NCC3=CC=C(C=C3)S(=O)(=O)N)CCCO

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(C(=N2)SCC(=O)NCC3=CC=C(C=C3)S(=O)(=O)N)CCCO

InChI

InChI=1S/C20H22N4O5S2/c21-31(28,29)15-8-6-14(7-9-15)12-22-18(26)13-30-20-23-17-5-2-1-4-16(17)19(27)24(20)10-3-11-25/h1-2,4-9,25H,3,10-13H2,(H,22,26)(H2,21,28,29)