N-(2-fluorophenyl)-2-[3-(6-methoxyhepta-1,3,5-trien-3-yl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-ethanamide

Systemtic Name: N-(2-fluorophenyl)-2-[3-(6-methoxyhepta-1,3,5-trien-3-yl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-ethanamide Openeye Name: N-(2-fluorophenyl)-2-[3-(4-methoxy-1-vinyl-penta-1,3-dienyl)-4-oxo-quinazolin-2-yl]sulfanyl-acetamide CAS Name: N-(2-fluorophenyl)-2-[[3-(6-methoxyhepta-1,3,5-trien-3-yl)-4-oxo-2-quinazolinyl]thio]acetamide IUPAC Name: N-(2-fluorophenyl)-2-[3-(6-methoxyhepta-1,3,5-trien-3-yl)-4-oxoquinazolin-2-yl]sulfanylacetamide Traditional Name: N-(2-fluorophenyl)-2-[[4-keto-3-(4-methoxy-1-vinyl-penta-1,3-dienyl)quinazolin-2-yl]thio]acetamide Formula: C24H22FN3O3S MolecularWeight: 451.513183

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CC=C(C=C)N1C(=O)C2=CC=CC=C2N=C1SCC(=O)NC3=CC=CC=C3F)OC

Isomeric SMILES

CC(=CC=C(C=C)N1C(=O)C2=CC=CC=C2N=C1SCC(=O)NC3=CC=CC=C3F)OC

InChI

InChI=1S/C24H22FN3O3S/c1-4-17(14-13-16(2)31-3)28-23(30)18-9-5-7-11-20(18)27-24(28)32-15-22(29)26-21-12-8-6-10-19(21)25/h4-14H,1,15H2,2-3H3,(H,26,29)