N-(4-bromanyl-3-methyl-phenyl)-2-[3-(5-methylpyridin-2-yl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-ethanamide

Systemtic Name: N-(4-bromanyl-3-methyl-phenyl)-2-[3-(5-methylpyridin-2-yl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-ethanamide Openeye Name: N-(4-bromo-3-methyl-phenyl)-2-[3-(5-methyl-2-pyridyl)-4-oxo-quinazolin-2-yl]sulfanyl-acetamide CAS Name: N-(4-bromo-3-methylphenyl)-2-[[3-(5-methyl-2-pyridinyl)-4-oxo-2-quinazolinyl]thio]acetamide IUPAC Name: N-(4-bromo-3-methylphenyl)-2-[3-(5-methylpyridin-2-yl)-4-oxoquinazolin-2-yl]sulfanylacetamide Traditional Name: N-(4-bromo-3-methyl-phenyl)-2-[[4-keto-3-(5-methyl-2-pyridyl)quinazolin-2-yl]thio]acetamide Formula: C23H19BrN4O2S MolecularWeight: 495.39156

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SCC(=O)NC4=CC(=C(C=C4)Br)C

Isomeric SMILES

CC1=CN=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SCC(=O)NC4=CC(=C(C=C4)Br)C

InChI

InChI=1S/C23H19BrN4O2S/c1-14-7-10-20(25-12-14)28-22(30)17-5-3-4-6-19(17)27-23(28)31-13-21(29)26-16-8-9-18(24)15(2)11-16/h3-12H,13H2,1-2H3,(H,26,29)