4-[2-[2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]-4-oxidanylidene-quinazolin-3-yl]ethyl]benzenesulfonamide

Systemtic Name: 4-[2-[2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]-4-oxidanylidene-quinazolin-3-yl]ethyl]benzenesulfonamide Openeye Name: 4-[2-[2-[(5-methylisoxazol-3-yl)methylsulfanyl]-4-oxo-quinazolin-3-yl]ethyl]benzenesulfonamide CAS Name: 4-[2-[2-[(5-methyl-3-isoxazolyl)methylthio]-4-oxo-3-quinazolinyl]ethyl]benzenesulfonamide IUPAC Name: 4-[2-[2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]-4-oxoquinazolin-3-yl]ethyl]benzenesulfonamide Traditional Name: 4-[2-[4-keto-2-[(5-methylisoxazol-3-yl)methylthio]quinazolin-3-yl]ethyl]benzenesulfonamide Formula: C21H20N4O4S2 MolecularWeight: 456.5379

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NO1)CSC2=NC3=CC=CC=C3C(=O)N2CCC4=CC=C(C=C4)S(=O)(=O)N

Isomeric SMILES

CC1=CC(=NO1)CSC2=NC3=CC=CC=C3C(=O)N2CCC4=CC=C(C=C4)S(=O)(=O)N

InChI

InChI=1S/C21H20N4O4S2/c1-14-12-16(24-29-14)13-30-21-23-19-5-3-2-4-18(19)20(26)25(21)11-10-15-6-8-17(9-7-15)31(22,27)28/h2-9,12H,10-11,13H2,1H3,(H2,22,27,28)