2-[3-(4-butylphenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-[2-(4-sulfamoylphenyl)ethyl]ethanamide

Systemtic Name: 2-[3-(4-butylphenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-[2-(4-sulfamoylphenyl)ethyl]ethanamide Openeye Name: 2-[3-(4-butylphenyl)-4-oxo-quinazolin-2-yl]sulfanyl-N-[2-(4-sulfamoylphenyl)ethyl]acetamide CAS Name: 2-[[3-(4-butylphenyl)-4-oxo-2-quinazolinyl]thio]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide IUPAC Name: 2-[3-(4-butylphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-[2-(4-sulfamoylphenyl)ethyl]acetamide Traditional Name: 2-[[3-(4-butylphenyl)-4-keto-quinazolin-2-yl]thio]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide Formula: C28H30N4O4S2 MolecularWeight: 550.6922

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SCC(=O)NCCC4=CC=C(C=C4)S(=O)(=O)N

Isomeric SMILES

CCCCC1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SCC(=O)NCCC4=CC=C(C=C4)S(=O)(=O)N

InChI

InChI=1S/C28H30N4O4S2/c1-2-3-6-20-9-13-22(14-10-20)32-27(34)24-7-4-5-8-25(24)31-28(32)37-19-26(33)30-18-17-21-11-15-23(16-12-21)38(29,35)36/h4-5,7-16H,2-3,6,17-19H2,1H3,(H,30,33)(H2,29,35,36)