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

Systemtic Name: N-[4-(cyanomethyl)phenyl]-2-[3-(2-methylpropyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-ethanamide Openeye Name: N-[4-(cyanomethyl)phenyl]-2-(3-isobutyl-4-oxo-quinazolin-2-yl)sulfanyl-acetamide CAS Name: N-[4-(cyanomethyl)phenyl]-2-[[3-(2-methylpropyl)-4-oxo-2-quinazolinyl]thio]acetamide IUPAC Name: N-[4-(cyanomethyl)phenyl]-2-[3-(2-methylpropyl)-4-oxoquinazolin-2-yl]sulfanylacetamide Traditional Name: N-[4-(cyanomethyl)phenyl]-2-[(3-isobutyl-4-keto-quinazolin-2-yl)thio]acetamide Formula: C22H22N4O2S MolecularWeight: 406.50068

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C(=O)C2=CC=CC=C2N=C1SCC(=O)NC3=CC=C(C=C3)CC#N

Isomeric SMILES

CC(C)CN1C(=O)C2=CC=CC=C2N=C1SCC(=O)NC3=CC=C(C=C3)CC#N

InChI

InChI=1S/C22H22N4O2S/c1-15(2)13-26-21(28)18-5-3-4-6-19(18)25-22(26)29-14-20(27)24-17-9-7-16(8-10-17)11-12-23/h3-10,15H,11,13-14H2,1-2H3,(H,24,27)