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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)N)C(=O)CSC2=NC(=NC3=CC=CC=C32)C(F)(F)F

Isomeric SMILES

C1CN(CCC1C(=O)N)C(=O)CSC2=NC(=NC3=CC=CC=C32)C(F)(F)F

InChI

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