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

Systemtic Name: N-[(2S)-heptan-2-yl]-2-[2-(trifluoromethyl)quinazolin-4-yl]sulfanyl-ethanamide Openeye Name: N-[(1S)-1-methylhexyl]-2-[2-(trifluoromethyl)quinazolin-4-yl]sulfanyl-acetamide CAS Name: N-[(2S)-heptan-2-yl]-2-[[2-(trifluoromethyl)-4-quinazolinyl]thio]acetamide IUPAC Name: N-[(2S)-heptan-2-yl]-2-[2-(trifluoromethyl)quinazolin-4-yl]sulfanylacetamide Traditional Name: N-[(1S)-1-methylhexyl]-2-[[2-(trifluoromethyl)quinazolin-4-yl]thio]acetamide Formula: C18H22F3N3OS MolecularWeight: 385.44699

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C)NC(=O)CSC1=NC(=NC2=CC=CC=C21)C(F)(F)F

Isomeric SMILES

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

InChI

InChI=1S/C18H22F3N3OS/c1-3-4-5-8-12(2)22-15(25)11-26-16-13-9-6-7-10-14(13)23-17(24-16)18(19,20)21/h6-7,9-10,12H,3-5,8,11H2,1-2H3,(H,22,25)/t12-/m0/s1