N-[(2S)-3-oxidanylidene-1-phenyl-butan-2-yl]-2-[2-(trifluoromethyl)quinazolin-4-yl]sulfanyl-ethanamide

Systemtic Name: N-[(2S)-3-oxidanylidene-1-phenyl-butan-2-yl]-2-[2-(trifluoromethyl)quinazolin-4-yl]sulfanyl-ethanamide Openeye Name: N-[(1S)-1-benzyl-2-oxo-propyl]-2-[2-(trifluoromethyl)quinazolin-4-yl]sulfanyl-acetamide CAS Name: N-[(2S)-3-oxo-1-phenylbutan-2-yl]-2-[[2-(trifluoromethyl)-4-quinazolinyl]thio]acetamide IUPAC Name: N-[(2S)-3-oxo-1-phenylbutan-2-yl]-2-[2-(trifluoromethyl)quinazolin-4-yl]sulfanylacetamide Traditional Name: N-[(1S)-1-benzyl-2-keto-propyl]-2-[[2-(trifluoromethyl)quinazolin-4-yl]thio]acetamide Formula: C21H18F3N3O2S MolecularWeight: 433.44673

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C(CC1=CC=CC=C1)NC(=O)CSC2=NC(=NC3=CC=CC=C32)C(F)(F)F

Isomeric SMILES

CC(=O)[C@H](CC1=CC=CC=C1)NC(=O)CSC2=NC(=NC3=CC=CC=C32)C(F)(F)F

InChI

InChI=1S/C21H18F3N3O2S/c1-13(28)17(11-14-7-3-2-4-8-14)25-18(29)12-30-19-15-9-5-6-10-16(15)26-20(27-19)21(22,23)24/h2-10,17H,11-12H2,1H3,(H,25,29)/t17-/m0/s1