3-(3-chloranyl-4-fluoranyl-phenyl)-N-(4-methoxyphenyl)-4-oxidanylidene-2-sulfanylidene-1H-quinazoline-7-carboxamide

Systemtic Name: 3-(3-chloranyl-4-fluoranyl-phenyl)-N-(4-methoxyphenyl)-4-oxidanylidene-2-sulfanylidene-1H-quinazoline-7-carboxamide Openeye Name: 3-(3-chloro-4-fluoro-phenyl)-N-(4-methoxyphenyl)-4-oxo-2-thioxo-1H-quinazoline-7-carboxamide CAS Name: 3-(3-chloro-4-fluorophenyl)-N-(4-methoxyphenyl)-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide IUPAC Name: 3-(3-chloro-4-fluorophenyl)-N-(4-methoxyphenyl)-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide Traditional Name: 3-(3-chloro-4-fluoro-phenyl)-4-keto-N-(4-methoxyphenyl)-2-thioxo-1H-quinazoline-7-carboxamide Formula: C22H15ClFN3O3S MolecularWeight: 455.889203

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)NC(=O)C2=CC3=C(C=C2)C(=O)N(C(=S)N3)C4=CC(=C(C=C4)F)Cl

Isomeric SMILES

COC1=CC=C(C=C1)NC(=O)C2=CC3=C(C=C2)C(=O)N(C(=S)N3)C4=CC(=C(C=C4)F)Cl

InChI

InChI=1S/C22H15ClFN3O3S/c1-30-15-6-3-13(4-7-15)25-20(28)12-2-8-16-19(10-12)26-22(31)27(21(16)29)14-5-9-18(24)17(23)11-14/h2-11H,1H3,(H,25,28)(H,26,31)