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

Systemtic Name: N-[(2S)-2-phenylbutyl]-2-[2-(trifluoromethyl)quinazolin-4-yl]sulfanyl-ethanamide Openeye Name: N-[(2S)-2-phenylbutyl]-2-[2-(trifluoromethyl)quinazolin-4-yl]sulfanyl-acetamide CAS Name: N-[(2S)-2-phenylbutyl]-2-[[2-(trifluoromethyl)-4-quinazolinyl]thio]acetamide IUPAC Name: N-[(2S)-2-phenylbutyl]-2-[2-(trifluoromethyl)quinazolin-4-yl]sulfanylacetamide Traditional Name: N-[(2S)-2-phenylbutyl]-2-[[2-(trifluoromethyl)quinazolin-4-yl]thio]acetamide Formula: C21H20F3N3OS MolecularWeight: 419.46321

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H20F3N3OS/c1-2-14(15-8-4-3-5-9-15)12-25-18(28)13-29-19-16-10-6-7-11-17(16)26-20(27-19)21(22,23)24/h3-11,14H,2,12-13H2,1H3,(H,25,28)/t14-/m1/s1