N-(2,5-diethoxyphenyl)-2-[2-(trifluoromethyl)quinazolin-4-yl]sulfanyl-ethanamide

Systemtic Name: N-(2,5-diethoxyphenyl)-2-[2-(trifluoromethyl)quinazolin-4-yl]sulfanyl-ethanamide Openeye Name: N-(2,5-diethoxyphenyl)-2-[2-(trifluoromethyl)quinazolin-4-yl]sulfanyl-acetamide CAS Name: N-(2,5-diethoxyphenyl)-2-[[2-(trifluoromethyl)-4-quinazolinyl]thio]acetamide IUPAC Name: N-(2,5-diethoxyphenyl)-2-[2-(trifluoromethyl)quinazolin-4-yl]sulfanylacetamide Traditional Name: N-(2,5-diethoxyphenyl)-2-[[2-(trifluoromethyl)quinazolin-4-yl]thio]acetamide Formula: C21H20F3N3O3S MolecularWeight: 451.46201

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=C(C=C1)OCC)NC(=O)CSC2=NC(=NC3=CC=CC=C32)C(F)(F)F

Isomeric SMILES

CCOC1=CC(=C(C=C1)OCC)NC(=O)CSC2=NC(=NC3=CC=CC=C32)C(F)(F)F

InChI

InChI=1S/C21H20F3N3O3S/c1-3-29-13-9-10-17(30-4-2)16(11-13)25-18(28)12-31-19-14-7-5-6-8-15(14)26-20(27-19)21(22,23)24/h5-11H,3-4,12H2,1-2H3,(H,25,28)