N-[[2-(azonan-1-yl)-5-(trifluoromethyl)phenyl]carbamothioyl]pyridine-3-carboxamide

Systemtic Name: N-[[2-(azonan-1-yl)-5-(trifluoromethyl)phenyl]carbamothioyl]pyridine-3-carboxamide Openeye Name: N-[[2-(azonan-1-yl)-5-(trifluoromethyl)phenyl]carbamothioyl]pyridine-3-carboxamide CAS Name: N-[[2-(1-azonanyl)-5-(trifluoromethyl)anilino]-sulfanylidenemethyl]-3-pyridinecarboxamide IUPAC Name: N-[[2-(azonan-1-yl)-5-(trifluoromethyl)phenyl]carbamothioyl]pyridine-3-carboxamide Traditional Name: N-[[2-(azonan-1-yl)-5-(trifluoromethyl)phenyl]thiocarbamoyl]nicotinamide Formula: C22H25F3N4OS MolecularWeight: 450.52031

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCCN(CCC1)C2=C(C=C(C=C2)C(F)(F)F)NC(=S)NC(=O)C3=CN=CC=C3

Isomeric SMILES

C1CCCCN(CCC1)C2=C(C=C(C=C2)C(F)(F)F)NC(=S)NC(=O)C3=CN=CC=C3

InChI

InChI=1S/C22H25F3N4OS/c23-22(24,25)17-9-10-19(29-12-5-3-1-2-4-6-13-29)18(14-17)27-21(31)28-20(30)16-8-7-11-26-15-16/h7-11,14-15H,1-6,12-13H2,(H2,27,28,30,31)