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

Systemtic Name: N-(4-fluorophenyl)-2-[3-(6-methoxyhepta-1,3,5-trien-3-yl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-ethanamide Openeye Name: N-(4-fluorophenyl)-2-[3-(4-methoxy-1-vinyl-penta-1,3-dienyl)-4-oxo-quinazolin-2-yl]sulfanyl-acetamide CAS Name: N-(4-fluorophenyl)-2-[[3-(6-methoxyhepta-1,3,5-trien-3-yl)-4-oxo-2-quinazolinyl]thio]acetamide IUPAC Name: N-(4-fluorophenyl)-2-[3-(6-methoxyhepta-1,3,5-trien-3-yl)-4-oxoquinazolin-2-yl]sulfanylacetamide Traditional Name: N-(4-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=C(C=C3)F)OC

Isomeric SMILES

CC(=CC=C(C=C)N1C(=O)C2=CC=CC=C2N=C1SCC(=O)NC3=CC=C(C=C3)F)OC

InChI

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