N-[(2S)-2-phenylpropyl]-2-[2-(trifluoromethyl)quinazolin-4-yl]sulfanyl-ethanamide

Systemtic Name: N-[(2S)-2-phenylpropyl]-2-[2-(trifluoromethyl)quinazolin-4-yl]sulfanyl-ethanamide Openeye Name: N-[(2S)-2-phenylpropyl]-2-[2-(trifluoromethyl)quinazolin-4-yl]sulfanyl-acetamide CAS Name: N-[(2S)-2-phenylpropyl]-2-[[2-(trifluoromethyl)-4-quinazolinyl]thio]acetamide IUPAC Name: N-[(2S)-2-phenylpropyl]-2-[2-(trifluoromethyl)quinazolin-4-yl]sulfanylacetamide Traditional Name: N-[(2S)-2-phenylpropyl]-2-[[2-(trifluoromethyl)quinazolin-4-yl]thio]acetamide Formula: C20H18F3N3OS MolecularWeight: 405.43663

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Descriptors Computed from Structure

Canonical SMILES:

CC(CNC(=O)CSC1=NC(=NC2=CC=CC=C21)C(F)(F)F)C3=CC=CC=C3

Isomeric SMILES

C[C@H](CNC(=O)CSC1=NC(=NC2=CC=CC=C21)C(F)(F)F)C3=CC=CC=C3

InChI

InChI=1S/C20H18F3N3OS/c1-13(14-7-3-2-4-8-14)11-24-17(27)12-28-18-15-9-5-6-10-16(15)25-19(26-18)20(21,22)23/h2-10,13H,11-12H2,1H3,(H,24,27)/t13-/m1/s1