2-[[2-[(4-methylphenyl)amino]-1,3-thiazol-4-yl]methylsulfanyl]-4-oxidanylidene-3-prop-2-enyl-quinazoline-7-carboxylic acid

Systemtic Name: 2-[[2-[(4-methylphenyl)amino]-1,3-thiazol-4-yl]methylsulfanyl]-4-oxidanylidene-3-prop-2-enyl-quinazoline-7-carboxylic acid Openeye Name: 3-allyl-2-[[2-(4-methylanilino)thiazol-4-yl]methylsulfanyl]-4-oxo-quinazoline-7-carboxylic acid CAS Name: 2-[[2-(4-methylanilino)-4-thiazolyl]methylthio]-4-oxo-3-prop-2-enyl-7-quinazolinecarboxylic acid IUPAC Name: 2-[[2-(4-methylanilino)-1,3-thiazol-4-yl]methylsulfanyl]-4-oxo-3-prop-2-enylquinazoline-7-carboxylic acid Traditional Name: 3-allyl-4-keto-2-[[2-(p-toluidino)thiazol-4-yl]methylthio]quinazoline-7-carboxylic acid Formula: C23H20N4O3S2 MolecularWeight: 464.5599

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC2=NC(=CS2)CSC3=NC4=C(C=CC(=C4)C(=O)O)C(=O)N3CC=C

Isomeric SMILES

CC1=CC=C(C=C1)NC2=NC(=CS2)CSC3=NC4=C(C=CC(=C4)C(=O)O)C(=O)N3CC=C

InChI

InChI=1S/C23H20N4O3S2/c1-3-10-27-20(28)18-9-6-15(21(29)30)11-19(18)26-23(27)32-13-17-12-31-22(25-17)24-16-7-4-14(2)5-8-16/h3-9,11-12H,1,10,13H2,2H3,(H,24,25)(H,29,30)