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

Systemtic Name: 2-[7-chloranyl-3-(3-methoxypropyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-[2-(cyanomethylsulfanyl)phenyl]ethanamide Openeye Name: 2-[7-chloro-3-(3-methoxypropyl)-4-oxo-quinazolin-2-yl]sulfanyl-N-[2-(cyanomethylsulfanyl)phenyl]acetamide CAS Name: 2-[[7-chloro-3-(3-methoxypropyl)-4-oxo-2-quinazolinyl]thio]-N-[2-(cyanomethylthio)phenyl]acetamide IUPAC Name: 2-[7-chloro-3-(3-methoxypropyl)-4-oxoquinazolin-2-yl]sulfanyl-N-[2-(cyanomethylsulfanyl)phenyl]acetamide Traditional Name: 2-[[7-chloro-4-keto-3-(3-methoxypropyl)quinazolin-2-yl]thio]-N-[2-(cyanomethylthio)phenyl]acetamide Formula: C22H21ClN4O3S2 MolecularWeight: 489.01014

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COCCCN1C(=O)C2=C(C=C(C=C2)Cl)N=C1SCC(=O)NC3=CC=CC=C3SCC#N

Isomeric SMILES

COCCCN1C(=O)C2=C(C=C(C=C2)Cl)N=C1SCC(=O)NC3=CC=CC=C3SCC#N

InChI

InChI=1S/C22H21ClN4O3S2/c1-30-11-4-10-27-21(29)16-8-7-15(23)13-18(16)26-22(27)32-14-20(28)25-17-5-2-3-6-19(17)31-12-9-24/h2-3,5-8,13H,4,10-12,14H2,1H3,(H,25,28)