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

Systemtic Name: N-cyclooctyl-2-[3-(5-methylpyridin-2-yl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-ethanamide Openeye Name: N-cyclooctyl-2-[3-(5-methyl-2-pyridyl)-4-oxo-quinazolin-2-yl]sulfanyl-acetamide CAS Name: N-cyclooctyl-2-[[3-(5-methyl-2-pyridinyl)-4-oxo-2-quinazolinyl]thio]acetamide IUPAC Name: N-cyclooctyl-2-[3-(5-methylpyridin-2-yl)-4-oxoquinazolin-2-yl]sulfanylacetamide Traditional Name: N-cyclooctyl-2-[[4-keto-3-(5-methyl-2-pyridyl)quinazolin-2-yl]thio]acetamide Formula: C24H28N4O2S MolecularWeight: 436.56972

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CN=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SCC(=O)NC4CCCCCCC4

Isomeric SMILES

CC1=CN=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SCC(=O)NC4CCCCCCC4

InChI

InChI=1S/C24H28N4O2S/c1-17-13-14-21(25-15-17)28-23(30)19-11-7-8-12-20(19)27-24(28)31-16-22(29)26-18-9-5-3-2-4-6-10-18/h7-8,11-15,18H,2-6,9-10,16H2,1H3,(H,26,29)