2-[4-(butylamino)quinazolin-2-yl]sulfanyl-N-[2-(4-sulfamoylphenyl)ethyl]ethanamide

Systemtic Name: 2-[4-(butylamino)quinazolin-2-yl]sulfanyl-N-[2-(4-sulfamoylphenyl)ethyl]ethanamide Openeye Name: 2-[4-(butylamino)quinazolin-2-yl]sulfanyl-N-[2-(4-sulfamoylphenyl)ethyl]acetamide CAS Name: 2-[[4-(butylamino)-2-quinazolinyl]thio]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide IUPAC Name: 2-[4-(butylamino)quinazolin-2-yl]sulfanyl-N-[2-(4-sulfamoylphenyl)ethyl]acetamide Traditional Name: 2-[[4-(butylamino)quinazolin-2-yl]thio]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide Formula: C22H27N5O3S2 MolecularWeight: 473.61148

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC1=NC(=NC2=CC=CC=C21)SCC(=O)NCCC3=CC=C(C=C3)S(=O)(=O)N

Isomeric SMILES

CCCCNC1=NC(=NC2=CC=CC=C21)SCC(=O)NCCC3=CC=C(C=C3)S(=O)(=O)N

InChI

InChI=1S/C22H27N5O3S2/c1-2-3-13-25-21-18-6-4-5-7-19(18)26-22(27-21)31-15-20(28)24-14-12-16-8-10-17(11-9-16)32(23,29)30/h4-11H,2-3,12-15H2,1H3,(H,24,28)(H2,23,29,30)(H,25,26,27)