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

Systemtic Name: N-[3,5-bis(chloranyl)phenyl]-2-(3-butan-2-yl-4-oxidanylidene-quinazolin-2-yl)sulfanyl-ethanamide Openeye Name: N-(3,5-dichlorophenyl)-2-(4-oxo-3-sec-butyl-quinazolin-2-yl)sulfanyl-acetamide CAS Name: 2-[(3-butan-2-yl-4-oxo-2-quinazolinyl)thio]-N-(3,5-dichlorophenyl)acetamide IUPAC Name: 2-(3-butan-2-yl-4-oxoquinazolin-2-yl)sulfanyl-N-(3,5-dichlorophenyl)acetamide Traditional Name: N-(3,5-dichlorophenyl)-2-[(4-keto-3-sec-butyl-quinazolin-2-yl)thio]acetamide Formula: C20H19Cl2N3O2S MolecularWeight: 436.35476

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)N1C(=O)C2=CC=CC=C2N=C1SCC(=O)NC3=CC(=CC(=C3)Cl)Cl

Isomeric SMILES

CCC(C)N1C(=O)C2=CC=CC=C2N=C1SCC(=O)NC3=CC(=CC(=C3)Cl)Cl

InChI

InChI=1S/C20H19Cl2N3O2S/c1-3-12(2)25-19(27)16-6-4-5-7-17(16)24-20(25)28-11-18(26)23-15-9-13(21)8-14(22)10-15/h4-10,12H,3,11H2,1-2H3,(H,23,26)