N-(cyanomethyl)-2-(3-hexyl-4-oxidanylidene-quinazolin-2-yl)sulfanyl-N-phenyl-ethanamide

Systemtic Name: N-(cyanomethyl)-2-(3-hexyl-4-oxidanylidene-quinazolin-2-yl)sulfanyl-N-phenyl-ethanamide Openeye Name: N-(cyanomethyl)-2-(3-hexyl-4-oxo-quinazolin-2-yl)sulfanyl-N-phenyl-acetamide CAS Name: N-(cyanomethyl)-2-[(3-hexyl-4-oxo-2-quinazolinyl)thio]-N-phenylacetamide IUPAC Name: N-(cyanomethyl)-2-(3-hexyl-4-oxoquinazolin-2-yl)sulfanyl-N-phenylacetamide Traditional Name: N-(cyanomethyl)-2-[(3-hexyl-4-keto-quinazolin-2-yl)thio]-N-phenyl-acetamide Formula: C24H26N4O2S MolecularWeight: 434.55384

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)N(CC#N)C3=CC=CC=C3

Isomeric SMILES

CCCCCCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)N(CC#N)C3=CC=CC=C3

InChI

InChI=1S/C24H26N4O2S/c1-2-3-4-10-16-28-23(30)20-13-8-9-14-21(20)26-24(28)31-18-22(29)27(17-15-25)19-11-6-5-7-12-19/h5-9,11-14H,2-4,10,16-18H2,1H3