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

Systemtic Name: N-[[2-(azepan-1-yl)-5-(trifluoromethyl)phenyl]carbamothioyl]pyridine-3-carboxamide Openeye Name: N-[[2-(azepan-1-yl)-5-(trifluoromethyl)phenyl]carbamothioyl]pyridine-3-carboxamide CAS Name: N-[[2-(1-azepanyl)-5-(trifluoromethyl)anilino]-sulfanylidenemethyl]-3-pyridinecarboxamide IUPAC Name: N-[[2-(azepan-1-yl)-5-(trifluoromethyl)phenyl]carbamothioyl]pyridine-3-carboxamide Traditional Name: N-[[2-(azepan-1-yl)-5-(trifluoromethyl)phenyl]thiocarbamoyl]nicotinamide Formula: C20H21F3N4OS MolecularWeight: 422.46715

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2=C(C=C(C=C2)C(F)(F)F)NC(=S)NC(=O)C3=CN=CC=C3

Isomeric SMILES

C1CCCN(CC1)C2=C(C=C(C=C2)C(F)(F)F)NC(=S)NC(=O)C3=CN=CC=C3

InChI

InChI=1S/C20H21F3N4OS/c21-20(22,23)15-7-8-17(27-10-3-1-2-4-11-27)16(12-15)25-19(29)26-18(28)14-6-5-9-24-13-14/h5-9,12-13H,1-4,10-11H2,(H2,25,26,28,29)