4-[[[3-(4-fluorophenyl)-4-oxidanylidene-2-sulfanylidene-1H-quinazolin-7-yl]carbonylamino]methyl]benzoic acid

Systemtic Name: 4-[[[3-(4-fluorophenyl)-4-oxidanylidene-2-sulfanylidene-1H-quinazolin-7-yl]carbonylamino]methyl]benzoic acid Openeye Name: 4-[[[3-(4-fluorophenyl)-4-oxo-2-thioxo-1H-quinazoline-7-carbonyl]amino]methyl]benzoic acid CAS Name: 4-[[[[3-(4-fluorophenyl)-4-oxo-2-sulfanylidene-1H-quinazolin-7-yl]-oxomethyl]amino]methyl]benzoic acid IUPAC Name: 4-[[[3-(4-fluorophenyl)-4-oxo-2-sulfanylidene-1H-quinazoline-7-carbonyl]amino]methyl]benzoic acid Traditional Name: 4-[[[3-(4-fluorophenyl)-4-keto-2-thioxo-1H-quinazoline-7-carbonyl]amino]methyl]benzoic acid Formula: C23H16FN3O4S MolecularWeight: 449.454243

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CNC(=O)C2=CC3=C(C=C2)C(=O)N(C(=S)N3)C4=CC=C(C=C4)F)C(=O)O

Isomeric SMILES

C1=CC(=CC=C1CNC(=O)C2=CC3=C(C=C2)C(=O)N(C(=S)N3)C4=CC=C(C=C4)F)C(=O)O

InChI

InChI=1S/C23H16FN3O4S/c24-16-6-8-17(9-7-16)27-21(29)18-10-5-15(11-19(18)26-23(27)32)20(28)25-12-13-1-3-14(4-2-13)22(30)31/h1-11H,12H2,(H,25,28)(H,26,32)(H,30,31)