N-(4-ethoxyphenyl)-2-[4-[(4-fluorophenyl)amino]quinazolin-2-yl]sulfanyl-ethanamide

Systemtic Name: N-(4-ethoxyphenyl)-2-[4-[(4-fluorophenyl)amino]quinazolin-2-yl]sulfanyl-ethanamide Openeye Name: N-(4-ethoxyphenyl)-2-[4-(4-fluoroanilino)quinazolin-2-yl]sulfanyl-acetamide CAS Name: N-(4-ethoxyphenyl)-2-[[4-(4-fluoroanilino)-2-quinazolinyl]thio]acetamide IUPAC Name: N-(4-ethoxyphenyl)-2-[4-(4-fluoroanilino)quinazolin-2-yl]sulfanylacetamide Traditional Name: 2-[[4-(4-fluoroanilino)quinazolin-2-yl]thio]-N-p-phenetyl-acetamide Formula: C24H21FN4O2S MolecularWeight: 448.512543

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)NC(=O)CSC2=NC3=CC=CC=C3C(=N2)NC4=CC=C(C=C4)F

Isomeric SMILES

CCOC1=CC=C(C=C1)NC(=O)CSC2=NC3=CC=CC=C3C(=N2)NC4=CC=C(C=C4)F

InChI

InChI=1S/C24H21FN4O2S/c1-2-31-19-13-11-17(12-14-19)26-22(30)15-32-24-28-21-6-4-3-5-20(21)23(29-24)27-18-9-7-16(25)8-10-18/h3-14H,2,15H2,1H3,(H,26,30)(H,27,28,29)