N-(1-cyanocyclopentyl)-2-[4-oxidanylidene-3-(2-propan-2-ylphenyl)quinazolin-2-yl]sulfanyl-ethanamide

Systemtic Name: N-(1-cyanocyclopentyl)-2-[4-oxidanylidene-3-(2-propan-2-ylphenyl)quinazolin-2-yl]sulfanyl-ethanamide Openeye Name: N-(1-cyanocyclopentyl)-2-[3-(2-isopropylphenyl)-4-oxo-quinazolin-2-yl]sulfanyl-acetamide CAS Name: N-(1-cyanocyclopentyl)-2-[[4-oxo-3-(2-propan-2-ylphenyl)-2-quinazolinyl]thio]acetamide IUPAC Name: N-(1-cyanocyclopentyl)-2-[4-oxo-3-(2-propan-2-ylphenyl)quinazolin-2-yl]sulfanylacetamide Traditional Name: N-(1-cyanocyclopentyl)-2-[(4-keto-3-o-cumenyl-quinazolin-2-yl)thio]acetamide Formula: C25H26N4O2S MolecularWeight: 446.56454

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=CC=C1N2C(=O)C3=CC=CC=C3N=C2SCC(=O)NC4(CCCC4)C#N

Isomeric SMILES

CC(C)C1=CC=CC=C1N2C(=O)C3=CC=CC=C3N=C2SCC(=O)NC4(CCCC4)C#N

InChI

InChI=1S/C25H26N4O2S/c1-17(2)18-9-4-6-12-21(18)29-23(31)19-10-3-5-11-20(19)27-24(29)32-15-22(30)28-25(16-26)13-7-8-14-25/h3-6,9-12,17H,7-8,13-15H2,1-2H3,(H,28,30)