2-(6-bromanyl-3-ethyl-4-oxidanylidene-quinazolin-2-yl)sulfanyl-N-(3-phenylpropyl)ethanamide

Systemtic Name: 2-(6-bromanyl-3-ethyl-4-oxidanylidene-quinazolin-2-yl)sulfanyl-N-(3-phenylpropyl)ethanamide Openeye Name: 2-(6-bromo-3-ethyl-4-oxo-quinazolin-2-yl)sulfanyl-N-(3-phenylpropyl)acetamide CAS Name: 2-[(6-bromo-3-ethyl-4-oxo-2-quinazolinyl)thio]-N-(3-phenylpropyl)acetamide IUPAC Name: 2-(6-bromo-3-ethyl-4-oxoquinazolin-2-yl)sulfanyl-N-(3-phenylpropyl)acetamide Traditional Name: 2-[(6-bromo-3-ethyl-4-keto-quinazolin-2-yl)thio]-N-(3-phenylpropyl)acetamide Formula: C21H22BrN3O2S MolecularWeight: 460.38728

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)C2=C(C=CC(=C2)Br)N=C1SCC(=O)NCCCC3=CC=CC=C3

Isomeric SMILES

CCN1C(=O)C2=C(C=CC(=C2)Br)N=C1SCC(=O)NCCCC3=CC=CC=C3

InChI

InChI=1S/C21H22BrN3O2S/c1-2-25-20(27)17-13-16(22)10-11-18(17)24-21(25)28-14-19(26)23-12-6-9-15-7-4-3-5-8-15/h3-5,7-8,10-11,13H,2,6,9,12,14H2,1H3,(H,23,26)