N-(1-cyanocyclohexyl)-2-[3-(3-fluoranyl-4-methyl-phenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-ethanamide

Systemtic Name: N-(1-cyanocyclohexyl)-2-[3-(3-fluoranyl-4-methyl-phenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-ethanamide Openeye Name: N-(1-cyanocyclohexyl)-2-[3-(3-fluoro-4-methyl-phenyl)-4-oxo-quinazolin-2-yl]sulfanyl-acetamide CAS Name: N-(1-cyanocyclohexyl)-2-[[3-(3-fluoro-4-methylphenyl)-4-oxo-2-quinazolinyl]thio]acetamide IUPAC Name: N-(1-cyanocyclohexyl)-2-[3-(3-fluoro-4-methylphenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide Traditional Name: N-(1-cyanocyclohexyl)-2-[[3-(3-fluoro-4-methyl-phenyl)-4-keto-quinazolin-2-yl]thio]acetamide Formula: C24H23FN4O2S MolecularWeight: 450.528423

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SCC(=O)NC4(CCCCC4)C#N)F

Isomeric SMILES

CC1=C(C=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SCC(=O)NC4(CCCCC4)C#N)F

InChI

InChI=1S/C24H23FN4O2S/c1-16-9-10-17(13-19(16)25)29-22(31)18-7-3-4-8-20(18)27-23(29)32-14-21(30)28-24(15-26)11-5-2-6-12-24/h3-4,7-10,13H,2,5-6,11-12,14H2,1H3,(H,28,30)