2-(6-bromanyl-4-oxidanylidene-3-propyl-quinazolin-2-yl)sulfanyl-N-(4-dimethylaminophenyl)propanamide

Systemtic Name: 2-(6-bromanyl-4-oxidanylidene-3-propyl-quinazolin-2-yl)sulfanyl-N-(4-dimethylaminophenyl)propanamide Openeye Name: 2-(6-bromo-4-oxo-3-propyl-quinazolin-2-yl)sulfanyl-N-(4-dimethylaminophenyl)propanamide CAS Name: 2-[(6-bromo-4-oxo-3-propyl-2-quinazolinyl)thio]-N-(4-dimethylaminophenyl)propanamide IUPAC Name: 2-(6-bromo-4-oxo-3-propylquinazolin-2-yl)sulfanyl-N-(4-dimethylaminophenyl)propanamide Traditional Name: 2-[(6-bromo-4-keto-3-propyl-quinazolin-2-yl)thio]-N-(4-dimethylaminophenyl)propionamide Formula: C22H25BrN4O2S MolecularWeight: 489.4285

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)C2=C(C=CC(=C2)Br)N=C1SC(C)C(=O)NC3=CC=C(C=C3)N(C)C

Isomeric SMILES

CCCN1C(=O)C2=C(C=CC(=C2)Br)N=C1SC(C)C(=O)NC3=CC=C(C=C3)N(C)C

InChI

InChI=1S/C22H25BrN4O2S/c1-5-12-27-21(29)18-13-15(23)6-11-19(18)25-22(27)30-14(2)20(28)24-16-7-9-17(10-8-16)26(3)4/h6-11,13-14H,5,12H2,1-4H3,(H,24,28)