2-(3-hexyl-4-oxidanylidene-quinazolin-2-yl)sulfanyl-N-[2,4,5-tris(chloranyl)phenyl]ethanamide

Systemtic Name: 2-(3-hexyl-4-oxidanylidene-quinazolin-2-yl)sulfanyl-N-[2,4,5-tris(chloranyl)phenyl]ethanamide Openeye Name: 2-(3-hexyl-4-oxo-quinazolin-2-yl)sulfanyl-N-(2,4,5-trichlorophenyl)acetamide CAS Name: 2-[(3-hexyl-4-oxo-2-quinazolinyl)thio]-N-(2,4,5-trichlorophenyl)acetamide IUPAC Name: 2-(3-hexyl-4-oxoquinazolin-2-yl)sulfanyl-N-(2,4,5-trichlorophenyl)acetamide Traditional Name: 2-[(3-hexyl-4-keto-quinazolin-2-yl)thio]-N-(2,4,5-trichlorophenyl)acetamide Formula: C22H22Cl3N3O2S MolecularWeight: 498.85298

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)NC3=CC(=C(C=C3Cl)Cl)Cl

Isomeric SMILES

CCCCCCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)NC3=CC(=C(C=C3Cl)Cl)Cl

InChI

InChI=1S/C22H22Cl3N3O2S/c1-2-3-4-7-10-28-21(30)14-8-5-6-9-18(14)27-22(28)31-13-20(29)26-19-12-16(24)15(23)11-17(19)25/h5-6,8-9,11-12H,2-4,7,10,13H2,1H3,(H,26,29)