N-[[2-(azocan-1-yl)-5-(trifluoromethyl)phenyl]carbamothioyl]-2-methoxy-benzamide

Systemtic Name: N-[[2-(azocan-1-yl)-5-(trifluoromethyl)phenyl]carbamothioyl]-2-methoxy-benzamide Openeye Name: N-[[2-(azocan-1-yl)-5-(trifluoromethyl)phenyl]carbamothioyl]-2-methoxy-benzamide CAS Name: N-[[2-(1-azocanyl)-5-(trifluoromethyl)anilino]-sulfanylidenemethyl]-2-methoxybenzamide IUPAC Name: N-[[2-(azocan-1-yl)-5-(trifluoromethyl)phenyl]carbamothioyl]-2-methoxybenzamide Traditional Name: N-[[2-(azocan-1-yl)-5-(trifluoromethyl)phenyl]thiocarbamoyl]-2-methoxy-benzamide Formula: C23H26F3N3O2S MolecularWeight: 465.53165

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C(=O)NC(=S)NC2=C(C=CC(=C2)C(F)(F)F)N3CCCCCCC3

Isomeric SMILES

COC1=CC=CC=C1C(=O)NC(=S)NC2=C(C=CC(=C2)C(F)(F)F)N3CCCCCCC3

InChI

InChI=1S/C23H26F3N3O2S/c1-31-20-10-6-5-9-17(20)21(30)28-22(32)27-18-15-16(23(24,25)26)11-12-19(18)29-13-7-3-2-4-8-14-29/h5-6,9-12,15H,2-4,7-8,13-14H2,1H3,(H2,27,28,30,32)