2-(7-chloranyl-4-oxidanylidene-3-prop-2-enyl-quinazolin-2-yl)sulfanyl-N-[1-(4-sulfamoylphenyl)ethyl]ethanamide

Systemtic Name: 2-(7-chloranyl-4-oxidanylidene-3-prop-2-enyl-quinazolin-2-yl)sulfanyl-N-[1-(4-sulfamoylphenyl)ethyl]ethanamide Openeye Name: 2-(3-allyl-7-chloro-4-oxo-quinazolin-2-yl)sulfanyl-N-[1-(4-sulfamoylphenyl)ethyl]acetamide CAS Name: 2-[(7-chloro-4-oxo-3-prop-2-enyl-2-quinazolinyl)thio]-N-[1-(4-sulfamoylphenyl)ethyl]acetamide IUPAC Name: 2-(7-chloro-4-oxo-3-prop-2-enylquinazolin-2-yl)sulfanyl-N-[1-(4-sulfamoylphenyl)ethyl]acetamide Traditional Name: 2-[(3-allyl-7-chloro-4-keto-quinazolin-2-yl)thio]-N-[1-(4-sulfamoylphenyl)ethyl]acetamide Formula: C21H21ClN4O4S2 MolecularWeight: 492.99884

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=C(C=C1)S(=O)(=O)N)NC(=O)CSC2=NC3=C(C=CC(=C3)Cl)C(=O)N2CC=C

Isomeric SMILES

CC(C1=CC=C(C=C1)S(=O)(=O)N)NC(=O)CSC2=NC3=C(C=CC(=C3)Cl)C(=O)N2CC=C

InChI

InChI=1S/C21H21ClN4O4S2/c1-3-10-26-20(28)17-9-6-15(22)11-18(17)25-21(26)31-12-19(27)24-13(2)14-4-7-16(8-5-14)32(23,29)30/h3-9,11,13H,1,10,12H2,2H3,(H,24,27)(H2,23,29,30)