(3R)-1-[2-[2-(trifluoromethyl)quinazolin-4-yl]sulfanylethanoyl]piperidine-3-carboxamide

Systemtic Name: (3R)-1-[2-[2-(trifluoromethyl)quinazolin-4-yl]sulfanylethanoyl]piperidine-3-carboxamide Openeye Name: (3R)-1-[2-[2-(trifluoromethyl)quinazolin-4-yl]sulfanylacetyl]piperidine-3-carboxamide CAS Name: (3R)-1-[1-oxo-2-[[2-(trifluoromethyl)-4-quinazolinyl]thio]ethyl]-3-piperidinecarboxamide IUPAC Name: (3R)-1-[2-[2-(trifluoromethyl)quinazolin-4-yl]sulfanylacetyl]piperidine-3-carboxamide Traditional Name: (3R)-1-[2-[[2-(trifluoromethyl)quinazolin-4-yl]thio]acetyl]nipecotamide Formula: C17H17F3N4O2S MolecularWeight: 398.40269

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C(=O)CSC2=NC(=NC3=CC=CC=C32)C(F)(F)F)C(=O)N

Isomeric SMILES

C1C[C@H](CN(C1)C(=O)CSC2=NC(=NC3=CC=CC=C32)C(F)(F)F)C(=O)N

InChI

InChI=1S/C17H17F3N4O2S/c18-17(19,20)16-22-12-6-2-1-5-11(12)15(23-16)27-9-13(25)24-7-3-4-10(8-24)14(21)26/h1-2,5-6,10H,3-4,7-9H2,(H2,21,26)/t10-/m1/s1