N-[[2-(azocan-1-yl)-5-(trifluoromethyl)phenyl]carbamothioyl]pyridine-4-carboxamide

Systemtic Name: N-[[2-(azocan-1-yl)-5-(trifluoromethyl)phenyl]carbamothioyl]pyridine-4-carboxamide Openeye Name: N-[[2-(azocan-1-yl)-5-(trifluoromethyl)phenyl]carbamothioyl]pyridine-4-carboxamide CAS Name: N-[[2-(1-azocanyl)-5-(trifluoromethyl)anilino]-sulfanylidenemethyl]-4-pyridinecarboxamide IUPAC Name: N-[[2-(azocan-1-yl)-5-(trifluoromethyl)phenyl]carbamothioyl]pyridine-4-carboxamide Traditional Name: N-[[2-(azocan-1-yl)-5-(trifluoromethyl)phenyl]thiocarbamoyl]isonicotinamide Formula: C21H23F3N4OS MolecularWeight: 436.49373

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CCC1)C2=C(C=C(C=C2)C(F)(F)F)NC(=S)NC(=O)C3=CC=NC=C3

Isomeric SMILES

C1CCCN(CCC1)C2=C(C=C(C=C2)C(F)(F)F)NC(=S)NC(=O)C3=CC=NC=C3

InChI

InChI=1S/C21H23F3N4OS/c22-21(23,24)16-6-7-18(28-12-4-2-1-3-5-13-28)17(14-16)26-20(30)27-19(29)15-8-10-25-11-9-15/h6-11,14H,1-5,12-13H2,(H2,26,27,29,30)