N-(4-fluorophenyl)-2-[methyl-[2-(4-oxidanylidene-3-prop-2-enyl-quinazolin-2-yl)sulfanylethanoyl]amino]ethanamide

Systemtic Name: N-(4-fluorophenyl)-2-[methyl-[2-(4-oxidanylidene-3-prop-2-enyl-quinazolin-2-yl)sulfanylethanoyl]amino]ethanamide Openeye Name: 2-[[2-(3-allyl-4-oxo-quinazolin-2-yl)sulfanylacetyl]-methyl-amino]-N-(4-fluorophenyl)acetamide CAS Name: N-(4-fluorophenyl)-2-[methyl-[1-oxo-2-[(4-oxo-3-prop-2-enyl-2-quinazolinyl)thio]ethyl]amino]acetamide IUPAC Name: N-(4-fluorophenyl)-2-[methyl-[2-(4-oxo-3-prop-2-enylquinazolin-2-yl)sulfanylacetyl]amino]acetamide Traditional Name: 2-[[2-[(3-allyl-4-keto-quinazolin-2-yl)thio]acetyl]-methyl-amino]-N-(4-fluorophenyl)acetamide Formula: C22H21FN4O3S MolecularWeight: 440.490543

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(CC(=O)NC1=CC=C(C=C1)F)C(=O)CSC2=NC3=CC=CC=C3C(=O)N2CC=C

Isomeric SMILES

CN(CC(=O)NC1=CC=C(C=C1)F)C(=O)CSC2=NC3=CC=CC=C3C(=O)N2CC=C

InChI

InChI=1S/C22H21FN4O3S/c1-3-12-27-21(30)17-6-4-5-7-18(17)25-22(27)31-14-20(29)26(2)13-19(28)24-16-10-8-15(23)9-11-16/h3-11H,1,12-14H2,2H3,(H,24,28)