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

Systemtic Name: 2-[7-chloranyl-3-(3-ethoxypropyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-(cyanomethyl)-N-phenyl-ethanamide Openeye Name: 2-[7-chloro-3-(3-ethoxypropyl)-4-oxo-quinazolin-2-yl]sulfanyl-N-(cyanomethyl)-N-phenyl-acetamide CAS Name: 2-[[7-chloro-3-(3-ethoxypropyl)-4-oxo-2-quinazolinyl]thio]-N-(cyanomethyl)-N-phenylacetamide IUPAC Name: 2-[7-chloro-3-(3-ethoxypropyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(cyanomethyl)-N-phenylacetamide Traditional Name: 2-[[7-chloro-3-(3-ethoxypropyl)-4-keto-quinazolin-2-yl]thio]-N-(cyanomethyl)-N-phenyl-acetamide Formula: C23H23ClN4O3S MolecularWeight: 470.97172

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOCCCN1C(=O)C2=C(C=C(C=C2)Cl)N=C1SCC(=O)N(CC#N)C3=CC=CC=C3

Isomeric SMILES

CCOCCCN1C(=O)C2=C(C=C(C=C2)Cl)N=C1SCC(=O)N(CC#N)C3=CC=CC=C3

InChI

InChI=1S/C23H23ClN4O3S/c1-2-31-14-6-12-28-22(30)19-10-9-17(24)15-20(19)26-23(28)32-16-21(29)27(13-11-25)18-7-4-3-5-8-18/h3-5,7-10,15H,2,6,12-14,16H2,1H3