2-(7-chloranyl-4-oxidanylidene-3-pentyl-quinazolin-2-yl)sulfanyl-N-[2-(cyanomethylsulfanyl)phenyl]ethanamide

Systemtic Name: 2-(7-chloranyl-4-oxidanylidene-3-pentyl-quinazolin-2-yl)sulfanyl-N-[2-(cyanomethylsulfanyl)phenyl]ethanamide Openeye Name: 2-(7-chloro-4-oxo-3-pentyl-quinazolin-2-yl)sulfanyl-N-[2-(cyanomethylsulfanyl)phenyl]acetamide CAS Name: 2-[(7-chloro-4-oxo-3-pentyl-2-quinazolinyl)thio]-N-[2-(cyanomethylthio)phenyl]acetamide IUPAC Name: 2-(7-chloro-4-oxo-3-pentylquinazolin-2-yl)sulfanyl-N-[2-(cyanomethylsulfanyl)phenyl]acetamide Traditional Name: 2-[(3-amyl-7-chloro-4-keto-quinazolin-2-yl)thio]-N-[2-(cyanomethylthio)phenyl]acetamide Formula: C23H23ClN4O2S2 MolecularWeight: 487.03732

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C(=O)C2=C(C=C(C=C2)Cl)N=C1SCC(=O)NC3=CC=CC=C3SCC#N

Isomeric SMILES

CCCCCN1C(=O)C2=C(C=C(C=C2)Cl)N=C1SCC(=O)NC3=CC=CC=C3SCC#N

InChI

InChI=1S/C23H23ClN4O2S2/c1-2-3-6-12-28-22(30)17-10-9-16(24)14-19(17)27-23(28)32-15-21(29)26-18-7-4-5-8-20(18)31-13-11-25/h4-5,7-10,14H,2-3,6,12-13,15H2,1H3,(H,26,29)