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

Systemtic Name: N-[[2-(azocan-1-yl)-5-(trifluoromethyl)phenyl]carbamothioyl]pyridine-3-carboxamide Openeye Name: N-[[2-(azocan-1-yl)-5-(trifluoromethyl)phenyl]carbamothioyl]pyridine-3-carboxamide CAS Name: N-[[2-(1-azocanyl)-5-(trifluoromethyl)anilino]-sulfanylidenemethyl]-3-pyridinecarboxamide IUPAC Name: N-[[2-(azocan-1-yl)-5-(trifluoromethyl)phenyl]carbamothioyl]pyridine-3-carboxamide Traditional Name: N-[[2-(azocan-1-yl)-5-(trifluoromethyl)phenyl]thiocarbamoyl]nicotinamide 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=CN=CC=C3

Isomeric SMILES

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

InChI

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