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

Systemtic Name: N-[3,5-bis(chloranyl)phenyl]-2-(3-hexyl-4-oxidanylidene-quinazolin-2-yl)sulfanyl-ethanamide Openeye Name: N-(3,5-dichlorophenyl)-2-(3-hexyl-4-oxo-quinazolin-2-yl)sulfanyl-acetamide CAS Name: N-(3,5-dichlorophenyl)-2-[(3-hexyl-4-oxo-2-quinazolinyl)thio]acetamide IUPAC Name: N-(3,5-dichlorophenyl)-2-(3-hexyl-4-oxoquinazolin-2-yl)sulfanylacetamide Traditional Name: N-(3,5-dichlorophenyl)-2-[(3-hexyl-4-keto-quinazolin-2-yl)thio]acetamide Formula: C22H23Cl2N3O2S MolecularWeight: 464.40792

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)NC3=CC(=CC(=C3)Cl)Cl

Isomeric SMILES

CCCCCCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)NC3=CC(=CC(=C3)Cl)Cl

InChI

InChI=1S/C22H23Cl2N3O2S/c1-2-3-4-7-10-27-21(29)18-8-5-6-9-19(18)26-22(27)30-14-20(28)25-17-12-15(23)11-16(24)13-17/h5-6,8-9,11-13H,2-4,7,10,14H2,1H3,(H,25,28)