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

Systemtic Name: 4-[[[3-(3-chloranyl-4-fluoranyl-phenyl)-4-oxidanylidene-2-sulfanylidene-1H-quinazolin-7-yl]carbonylamino]methyl]benzoic acid Openeye Name: 4-[[[3-(3-chloro-4-fluoro-phenyl)-4-oxo-2-thioxo-1H-quinazoline-7-carbonyl]amino]methyl]benzoic acid CAS Name: 4-[[[[3-(3-chloro-4-fluorophenyl)-4-oxo-2-sulfanylidene-1H-quinazolin-7-yl]-oxomethyl]amino]methyl]benzoic acid IUPAC Name: 4-[[[3-(3-chloro-4-fluorophenyl)-4-oxo-2-sulfanylidene-1H-quinazoline-7-carbonyl]amino]methyl]benzoic acid Traditional Name: 4-[[[3-(3-chloro-4-fluoro-phenyl)-4-keto-2-thioxo-1H-quinazoline-7-carbonyl]amino]methyl]benzoic acid Formula: C23H15ClFN3O4S MolecularWeight: 483.899303

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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)Cl)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)Cl)C(=O)O

InChI

InChI=1S/C23H15ClFN3O4S/c24-17-10-15(6-8-18(17)25)28-21(30)16-7-5-14(9-19(16)27-23(28)33)20(29)26-11-12-1-3-13(4-2-12)22(31)32/h1-10H,11H2,(H,26,29)(H,27,33)(H,31,32)