N-(3-bromophenyl)-2-(4-oxidanylidene-3-prop-2-enyl-quinazolin-2-yl)sulfanyl-propanamide

Systemtic Name: N-(3-bromophenyl)-2-(4-oxidanylidene-3-prop-2-enyl-quinazolin-2-yl)sulfanyl-propanamide Openeye Name: 2-(3-allyl-4-oxo-quinazolin-2-yl)sulfanyl-N-(3-bromophenyl)propanamide CAS Name: N-(3-bromophenyl)-2-[(4-oxo-3-prop-2-enyl-2-quinazolinyl)thio]propanamide IUPAC Name: N-(3-bromophenyl)-2-(4-oxo-3-prop-2-enylquinazolin-2-yl)sulfanylpropanamide Traditional Name: 2-[(3-allyl-4-keto-quinazolin-2-yl)thio]-N-(3-bromophenyl)propionamide Formula: C20H18BrN3O2S MolecularWeight: 444.34482

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC(=CC=C1)Br)SC2=NC3=CC=CC=C3C(=O)N2CC=C

Isomeric SMILES

CC(C(=O)NC1=CC(=CC=C1)Br)SC2=NC3=CC=CC=C3C(=O)N2CC=C

InChI

InChI=1S/C20H18BrN3O2S/c1-3-11-24-19(26)16-9-4-5-10-17(16)23-20(24)27-13(2)18(25)22-15-8-6-7-14(21)12-15/h3-10,12-13H,1,11H2,2H3,(H,22,25)