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

Systemtic Name: N-phenyl-1-[2-[2-(trifluoromethyl)quinazolin-4-yl]sulfanylethanoyl]piperidine-3-carboxamide Openeye Name: N-phenyl-1-[2-[2-(trifluoromethyl)quinazolin-4-yl]sulfanylacetyl]piperidine-3-carboxamide CAS Name: 1-[1-oxo-2-[[2-(trifluoromethyl)-4-quinazolinyl]thio]ethyl]-N-phenyl-3-piperidinecarboxamide IUPAC Name: N-phenyl-1-[2-[2-(trifluoromethyl)quinazolin-4-yl]sulfanylacetyl]piperidine-3-carboxamide Traditional Name: N-phenyl-1-[2-[[2-(trifluoromethyl)quinazolin-4-yl]thio]acetyl]nipecotamide Formula: C23H21F3N4O2S MolecularWeight: 474.49865

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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)NC4=CC=CC=C4

Isomeric SMILES

C1CC(CN(C1)C(=O)CSC2=NC(=NC3=CC=CC=C32)C(F)(F)F)C(=O)NC4=CC=CC=C4

InChI

InChI=1S/C23H21F3N4O2S/c24-23(25,26)22-28-18-11-5-4-10-17(18)21(29-22)33-14-19(31)30-12-6-7-15(13-30)20(32)27-16-8-2-1-3-9-16/h1-5,8-11,15H,6-7,12-14H2,(H,27,32)