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

Systemtic Name: N-[[2-(azocan-1-yl)-5-(trifluoromethyl)phenyl]carbamothioyl]benzamide Openeye Name: N-[[2-(azocan-1-yl)-5-(trifluoromethyl)phenyl]carbamothioyl]benzamide CAS Name: N-[[2-(1-azocanyl)-5-(trifluoromethyl)anilino]-sulfanylidenemethyl]benzamide IUPAC Name: N-[[2-(azocan-1-yl)-5-(trifluoromethyl)phenyl]carbamothioyl]benzamide Traditional Name: N-[[2-(azocan-1-yl)-5-(trifluoromethyl)phenyl]thiocarbamoyl]benzamide Formula: C22H24F3N3OS MolecularWeight: 435.50567

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H24F3N3OS/c23-22(24,25)17-11-12-19(28-13-7-2-1-3-8-14-28)18(15-17)26-21(30)27-20(29)16-9-5-4-6-10-16/h4-6,9-12,15H,1-3,7-8,13-14H2,(H2,26,27,29,30)