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

Systemtic Name: 5-bromanyl-2-methoxy-N-[[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]carbamothioyl]benzamide Openeye Name: 5-bromo-2-methoxy-N-[[2-(1-piperidyl)-5-(trifluoromethyl)phenyl]carbamothioyl]benzamide CAS Name: 5-bromo-2-methoxy-N-[[2-(1-piperidinyl)-5-(trifluoromethyl)anilino]-sulfanylidenemethyl]benzamide IUPAC Name: 5-bromo-2-methoxy-N-[[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]carbamothioyl]benzamide Traditional Name: 5-bromo-2-methoxy-N-[[2-piperidino-5-(trifluoromethyl)phenyl]thiocarbamoyl]benzamide Formula: C21H21BrF3N3O2S MolecularWeight: 516.37455

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Br)C(=O)NC(=S)NC2=C(C=CC(=C2)C(F)(F)F)N3CCCCC3

Isomeric SMILES

COC1=C(C=C(C=C1)Br)C(=O)NC(=S)NC2=C(C=CC(=C2)C(F)(F)F)N3CCCCC3

InChI

InChI=1S/C21H21BrF3N3O2S/c1-30-18-8-6-14(22)12-15(18)19(29)27-20(31)26-16-11-13(21(23,24)25)5-7-17(16)28-9-3-2-4-10-28/h5-8,11-12H,2-4,9-10H2,1H3,(H2,26,27,29,31)