2-[[3-(5-methylpyridin-2-yl)-4-oxidanylidene-1H-quinazolin-3-ium-2-yl]sulfanyl]-N-(4-methyl-3-sulfamoyl-phenyl)ethanamide

Systemtic Name: 2-[[3-(5-methylpyridin-2-yl)-4-oxidanylidene-1H-quinazolin-3-ium-2-yl]sulfanyl]-N-(4-methyl-3-sulfamoyl-phenyl)ethanamide Openeye Name: 2-[[3-(5-methyl-2-pyridyl)-4-oxo-1H-quinazolin-3-ium-2-yl]sulfanyl]-N-(4-methyl-3-sulfamoyl-phenyl)acetamide CAS Name: 2-[[3-(5-methyl-2-pyridinyl)-4-oxo-1H-quinazolin-3-ium-2-yl]thio]-N-(4-methyl-3-sulfamoylphenyl)acetamide IUPAC Name: 2-[[3-(5-methylpyridin-2-yl)-4-oxo-1H-quinazolin-3-ium-2-yl]sulfanyl]-N-(4-methyl-3-sulfamoylphenyl)acetamide Traditional Name: 2-[[4-keto-3-(5-methyl-2-pyridyl)-1H-quinazolin-3-ium-2-yl]thio]-N-(4-methyl-3-sulfamoyl-phenyl)acetamide Formula: C23H22N5O4S2+ MolecularWeight: 496.58188

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN=C(C=C1)[N+]2=C(NC3=CC=CC=C3C2=O)SCC(=O)NC4=CC(=C(C=C4)C)S(=O)(=O)N

Isomeric SMILES

CC1=CN=C(C=C1)[N+]2=C(NC3=CC=CC=C3C2=O)SCC(=O)NC4=CC(=C(C=C4)C)S(=O)(=O)N

InChI

InChI=1S/C23H21N5O4S2/c1-14-7-10-20(25-12-14)28-22(30)17-5-3-4-6-18(17)27-23(28)33-13-21(29)26-16-9-8-15(2)19(11-16)34(24,31)32/h3-12H,13H2,1-2H3,(H3,24,26,29,31,32)/p+1