N-[[2-(azocan-1-yl)-5-(trifluoromethyl)phenyl]carbamothioyl]-6-methyl-pyridine-3-carboxamide

Systemtic Name: N-[[2-(azocan-1-yl)-5-(trifluoromethyl)phenyl]carbamothioyl]-6-methyl-pyridine-3-carboxamide Openeye Name: N-[[2-(azocan-1-yl)-5-(trifluoromethyl)phenyl]carbamothioyl]-6-methyl-pyridine-3-carboxamide CAS Name: N-[[2-(1-azocanyl)-5-(trifluoromethyl)anilino]-sulfanylidenemethyl]-6-methyl-3-pyridinecarboxamide IUPAC Name: N-[[2-(azocan-1-yl)-5-(trifluoromethyl)phenyl]carbamothioyl]-6-methylpyridine-3-carboxamide Traditional Name: N-[[2-(azocan-1-yl)-5-(trifluoromethyl)phenyl]thiocarbamoyl]-6-methyl-nicotinamide Formula: C22H25F3N4OS MolecularWeight: 450.52031

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C(C=C1)C(=O)NC(=S)NC2=C(C=CC(=C2)C(F)(F)F)N3CCCCCCC3

Isomeric SMILES

CC1=NC=C(C=C1)C(=O)NC(=S)NC2=C(C=CC(=C2)C(F)(F)F)N3CCCCCCC3

InChI

InChI=1S/C22H25F3N4OS/c1-15-7-8-16(14-26-15)20(30)28-21(31)27-18-13-17(22(23,24)25)9-10-19(18)29-11-5-3-2-4-6-12-29/h7-10,13-14H,2-6,11-12H2,1H3,(H2,27,28,30,31)