N-[1-(4-bromophenyl)ethyl]-2-(7-chloranyl-4-oxidanylidene-3-prop-2-enyl-quinazolin-2-yl)sulfanyl-ethanamide

Systemtic Name: N-[1-(4-bromophenyl)ethyl]-2-(7-chloranyl-4-oxidanylidene-3-prop-2-enyl-quinazolin-2-yl)sulfanyl-ethanamide Openeye Name: 2-(3-allyl-7-chloro-4-oxo-quinazolin-2-yl)sulfanyl-N-[1-(4-bromophenyl)ethyl]acetamide CAS Name: N-[1-(4-bromophenyl)ethyl]-2-[(7-chloro-4-oxo-3-prop-2-enyl-2-quinazolinyl)thio]acetamide IUPAC Name: N-[1-(4-bromophenyl)ethyl]-2-(7-chloro-4-oxo-3-prop-2-enylquinazolin-2-yl)sulfanylacetamide Traditional Name: 2-[(3-allyl-7-chloro-4-keto-quinazolin-2-yl)thio]-N-[1-(4-bromophenyl)ethyl]acetamide Formula: C21H19BrClN3O2S MolecularWeight: 492.81646

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=C(C=C1)Br)NC(=O)CSC2=NC3=C(C=CC(=C3)Cl)C(=O)N2CC=C

Isomeric SMILES

CC(C1=CC=C(C=C1)Br)NC(=O)CSC2=NC3=C(C=CC(=C3)Cl)C(=O)N2CC=C

InChI

InChI=1S/C21H19BrClN3O2S/c1-3-10-26-20(28)17-9-8-16(23)11-18(17)25-21(26)29-12-19(27)24-13(2)14-4-6-15(22)7-5-14/h3-9,11,13H,1,10,12H2,2H3,(H,24,27)