N-(6-ethanoyl-1,3-benzodioxol-5-yl)-2-[2-(trifluoromethyl)quinazolin-4-yl]sulfanyl-ethanamide

Systemtic Name: N-(6-ethanoyl-1,3-benzodioxol-5-yl)-2-[2-(trifluoromethyl)quinazolin-4-yl]sulfanyl-ethanamide Openeye Name: N-(6-acetyl-1,3-benzodioxol-5-yl)-2-[2-(trifluoromethyl)quinazolin-4-yl]sulfanyl-acetamide CAS Name: N-(6-acetyl-1,3-benzodioxol-5-yl)-2-[[2-(trifluoromethyl)-4-quinazolinyl]thio]acetamide IUPAC Name: N-(6-acetyl-1,3-benzodioxol-5-yl)-2-[2-(trifluoromethyl)quinazolin-4-yl]sulfanylacetamide Traditional Name: N-(6-acetyl-1,3-benzodioxol-5-yl)-2-[[2-(trifluoromethyl)quinazolin-4-yl]thio]acetamide Formula: C20H14F3N3O4S MolecularWeight: 449.40307

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC2=C(C=C1NC(=O)CSC3=NC(=NC4=CC=CC=C43)C(F)(F)F)OCO2

Isomeric SMILES

CC(=O)C1=CC2=C(C=C1NC(=O)CSC3=NC(=NC4=CC=CC=C43)C(F)(F)F)OCO2

InChI

InChI=1S/C20H14F3N3O4S/c1-10(27)12-6-15-16(30-9-29-15)7-14(12)24-17(28)8-31-18-11-4-2-3-5-13(11)25-19(26-18)20(21,22)23/h2-7H,8-9H2,1H3,(H,24,28)