N-(5-acetamido-2-methoxy-phenyl)-2-[2-(trifluoromethyl)quinazolin-4-yl]sulfanyl-ethanamide

Systemtic Name: N-(5-acetamido-2-methoxy-phenyl)-2-[2-(trifluoromethyl)quinazolin-4-yl]sulfanyl-ethanamide Openeye Name: N-(5-acetamido-2-methoxy-phenyl)-2-[2-(trifluoromethyl)quinazolin-4-yl]sulfanyl-acetamide CAS Name: N-(5-acetamido-2-methoxyphenyl)-2-[[2-(trifluoromethyl)-4-quinazolinyl]thio]acetamide IUPAC Name: N-(5-acetamido-2-methoxyphenyl)-2-[2-(trifluoromethyl)quinazolin-4-yl]sulfanylacetamide Traditional Name: N-(5-acetamido-2-methoxy-phenyl)-2-[[2-(trifluoromethyl)quinazolin-4-yl]thio]acetamide Formula: C20H17F3N4O3S MolecularWeight: 450.43419

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC(=C(C=C1)OC)NC(=O)CSC2=NC(=NC3=CC=CC=C32)C(F)(F)F

Isomeric SMILES

CC(=O)NC1=CC(=C(C=C1)OC)NC(=O)CSC2=NC(=NC3=CC=CC=C32)C(F)(F)F

InChI

InChI=1S/C20H17F3N4O3S/c1-11(28)24-12-7-8-16(30-2)15(9-12)25-17(29)10-31-18-13-5-3-4-6-14(13)26-19(27-18)20(21,22)23/h3-9H,10H2,1-2H3,(H,24,28)(H,25,29)