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

Systemtic Name: N-(4-bromanyl-2-fluoranyl-phenyl)-2-[4-oxidanylidene-3-(4-propan-2-ylphenyl)quinazolin-2-yl]sulfanyl-ethanamide Openeye Name: N-(4-bromo-2-fluoro-phenyl)-2-[3-(4-isopropylphenyl)-4-oxo-quinazolin-2-yl]sulfanyl-acetamide CAS Name: N-(4-bromo-2-fluorophenyl)-2-[[4-oxo-3-(4-propan-2-ylphenyl)-2-quinazolinyl]thio]acetamide IUPAC Name: N-(4-bromo-2-fluorophenyl)-2-[4-oxo-3-(4-propan-2-ylphenyl)quinazolin-2-yl]sulfanylacetamide Traditional Name: N-(4-bromo-2-fluoro-phenyl)-2-[(4-keto-3-p-cumenyl-quinazolin-2-yl)thio]acetamide Formula: C25H21BrFN3O2S MolecularWeight: 526.420543

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H21BrFN3O2S/c1-15(2)16-7-10-18(11-8-16)30-24(32)19-5-3-4-6-21(19)29-25(30)33-14-23(31)28-22-12-9-17(26)13-20(22)27/h3-13,15H,14H2,1-2H3,(H,28,31)