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

Systemtic Name: N-[4-(cyanomethyl)phenyl]-2-[3-(2,4-dimethylphenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-ethanamide Openeye Name: N-[4-(cyanomethyl)phenyl]-2-[3-(2,4-dimethylphenyl)-4-oxo-quinazolin-2-yl]sulfanyl-acetamide CAS Name: N-[4-(cyanomethyl)phenyl]-2-[[3-(2,4-dimethylphenyl)-4-oxo-2-quinazolinyl]thio]acetamide IUPAC Name: N-[4-(cyanomethyl)phenyl]-2-[3-(2,4-dimethylphenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide Traditional Name: N-[4-(cyanomethyl)phenyl]-2-[[3-(2,4-dimethylphenyl)-4-keto-quinazolin-2-yl]thio]acetamide Formula: C26H22N4O2S MolecularWeight: 454.54348

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SCC(=O)NC4=CC=C(C=C4)CC#N)C

Isomeric SMILES

CC1=CC(=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SCC(=O)NC4=CC=C(C=C4)CC#N)C

InChI

InChI=1S/C26H22N4O2S/c1-17-7-12-23(18(2)15-17)30-25(32)21-5-3-4-6-22(21)29-26(30)33-16-24(31)28-20-10-8-19(9-11-20)13-14-27/h3-12,15H,13,16H2,1-2H3,(H,28,31)