N-(4-bromanyl-2-fluoranyl-phenyl)-2-[3-(4-methoxyphenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-ethanamide

Systemtic Name: N-(4-bromanyl-2-fluoranyl-phenyl)-2-[3-(4-methoxyphenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-ethanamide Openeye Name: N-(4-bromo-2-fluoro-phenyl)-2-[3-(4-methoxyphenyl)-4-oxo-quinazolin-2-yl]sulfanyl-acetamide CAS Name: N-(4-bromo-2-fluorophenyl)-2-[[3-(4-methoxyphenyl)-4-oxo-2-quinazolinyl]thio]acetamide IUPAC Name: N-(4-bromo-2-fluorophenyl)-2-[3-(4-methoxyphenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide Traditional Name: N-(4-bromo-2-fluoro-phenyl)-2-[[4-keto-3-(4-methoxyphenyl)quinazolin-2-yl]thio]acetamide Formula: C23H17BrFN3O3S MolecularWeight: 514.366783

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SCC(=O)NC4=C(C=C(C=C4)Br)F

Isomeric SMILES

COC1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SCC(=O)NC4=C(C=C(C=C4)Br)F

InChI

InChI=1S/C23H17BrFN3O3S/c1-31-16-9-7-15(8-10-16)28-22(30)17-4-2-3-5-19(17)27-23(28)32-13-21(29)26-20-11-6-14(24)12-18(20)25/h2-12H,13H2,1H3,(H,26,29)