3,5-bis(bromanyl)-2-methoxy-N-[[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]carbamothioyl]benzamide

Systemtic Name: 3,5-bis(bromanyl)-2-methoxy-N-[[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]carbamothioyl]benzamide Openeye Name: 3,5-dibromo-2-methoxy-N-[[2-(1-piperidyl)-5-(trifluoromethyl)phenyl]carbamothioyl]benzamide CAS Name: 3,5-dibromo-2-methoxy-N-[[2-(1-piperidinyl)-5-(trifluoromethyl)anilino]-sulfanylidenemethyl]benzamide IUPAC Name: 3,5-dibromo-2-methoxy-N-[[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]carbamothioyl]benzamide Traditional Name: 3,5-dibromo-2-methoxy-N-[[2-piperidino-5-(trifluoromethyl)phenyl]thiocarbamoyl]benzamide Formula: C21H20Br2F3N3O2S MolecularWeight: 595.27061

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1C(=O)NC(=S)NC2=C(C=CC(=C2)C(F)(F)F)N3CCCCC3)Br)Br

Isomeric SMILES

COC1=C(C=C(C=C1C(=O)NC(=S)NC2=C(C=CC(=C2)C(F)(F)F)N3CCCCC3)Br)Br

InChI

InChI=1S/C21H20Br2F3N3O2S/c1-31-18-14(10-13(22)11-15(18)23)19(30)28-20(32)27-16-9-12(21(24,25)26)5-6-17(16)29-7-3-2-4-8-29/h5-6,9-11H,2-4,7-8H2,1H3,(H2,27,28,30,32)