2-[2-(4-chlorophenyl)quinazolin-4-yl]sulfanyl-N-(2,4,6-trimethylphenyl)ethanamide

Systemtic Name: 2-[2-(4-chlorophenyl)quinazolin-4-yl]sulfanyl-N-(2,4,6-trimethylphenyl)ethanamide Openeye Name: 2-[2-(4-chlorophenyl)quinazolin-4-yl]sulfanyl-N-(2,4,6-trimethylphenyl)acetamide CAS Name: 2-[[2-(4-chlorophenyl)-4-quinazolinyl]thio]-N-(2,4,6-trimethylphenyl)acetamide IUPAC Name: 2-[2-(4-chlorophenyl)quinazolin-4-yl]sulfanyl-N-(2,4,6-trimethylphenyl)acetamide Traditional Name: 2-[[2-(4-chlorophenyl)quinazolin-4-yl]thio]-N-mesityl-acetamide Formula: C25H22ClN3OS MolecularWeight: 447.97968

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)NC(=O)CSC2=NC(=NC3=CC=CC=C32)C4=CC=C(C=C4)Cl)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)NC(=O)CSC2=NC(=NC3=CC=CC=C32)C4=CC=C(C=C4)Cl)C

InChI

InChI=1S/C25H22ClN3OS/c1-15-12-16(2)23(17(3)13-15)28-22(30)14-31-25-20-6-4-5-7-21(20)27-24(29-25)18-8-10-19(26)11-9-18/h4-13H,14H2,1-3H3,(H,28,30)