N-[[2-(azocan-1-yl)-5-(trifluoromethyl)phenyl]carbamothioyl]-4-fluoranyl-benzamide

Systemtic Name: N-[[2-(azocan-1-yl)-5-(trifluoromethyl)phenyl]carbamothioyl]-4-fluoranyl-benzamide Openeye Name: N-[[2-(azocan-1-yl)-5-(trifluoromethyl)phenyl]carbamothioyl]-4-fluoro-benzamide CAS Name: N-[[2-(1-azocanyl)-5-(trifluoromethyl)anilino]-sulfanylidenemethyl]-4-fluorobenzamide IUPAC Name: N-[[2-(azocan-1-yl)-5-(trifluoromethyl)phenyl]carbamothioyl]-4-fluorobenzamide Traditional Name: N-[[2-(azocan-1-yl)-5-(trifluoromethyl)phenyl]thiocarbamoyl]-4-fluoro-benzamide Formula: C22H23F4N3OS MolecularWeight: 453.496133

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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=CC=C(C=C3)F

Isomeric SMILES

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

InChI

InChI=1S/C22H23F4N3OS/c23-17-9-6-15(7-10-17)20(30)28-21(31)27-18-14-16(22(24,25)26)8-11-19(18)29-12-4-2-1-3-5-13-29/h6-11,14H,1-5,12-13H2,(H2,27,28,30,31)