9-[3-[2-(pyridin-3-ylmethylsulfanyl)-5-[[2-[4-(trifluoromethyl)phenyl]phenyl]carbonylamino]benzimidazol-1-yl]propyl]-N-[2,2,2-tris(fluoranyl)ethyl]fluorene-9-carboxamide

Systemtic Name: 9-[3-[2-(pyridin-3-ylmethylsulfanyl)-5-[[2-[4-(trifluoromethyl)phenyl]phenyl]carbonylamino]benzimidazol-1-yl]propyl]-N-[2,2,2-tris(fluoranyl)ethyl]fluorene-9-carboxamide Openeye Name: 9-[3-[2-(3-pyridylmethylsulfanyl)-5-[[2-[4-(trifluoromethyl)phenyl]benzoyl]amino]benzimidazol-1-yl]propyl]-N-(2,2,2-trifluoroethyl)fluorene-9-carboxamide CAS Name: 9-[3-[5-[[oxo-[2-[4-(trifluoromethyl)phenyl]phenyl]methyl]amino]-2-(3-pyridinylmethylthio)-1-benzimidazolyl]propyl]-N-(2,2,2-trifluoroethyl)-9-fluorenecarboxamide IUPAC Name: 9-[3-[2-(pyridin-3-ylmethylsulfanyl)-5-[[2-[4-(trifluoromethyl)phenyl]benzoyl]amino]benzimidazol-1-yl]propyl]-N-(2,2,2-trifluoroethyl)fluorene-9-carboxamide Traditional Name: 9-[3-[2-(3-pyridylmethylthio)-5-[[2-[4-(trifluoromethyl)phenyl]benzoyl]amino]benzimidazol-1-yl]propyl]-N-(2,2,2-trifluoroethyl)fluorene-9-carboxamide Formula: C46H35F6N5O2S MolecularWeight: 835.857819

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C2=CC=C(C=C2)C(F)(F)F)C(=O)NC3=CC4=C(C=C3)N(C(=N4)SCC5=CN=CC=C5)CCCC6(C7=CC=CC=C7C8=CC=CC=C86)C(=O)NCC(F)(F)F

Isomeric SMILES

C1=CC=C(C(=C1)C2=CC=C(C=C2)C(F)(F)F)C(=O)NC3=CC4=C(C=C3)N(C(=N4)SCC5=CN=CC=C5)CCCC6(C7=CC=CC=C7C8=CC=CC=C86)C(=O)NCC(F)(F)F

InChI

InChI=1S/C46H35F6N5O2S/c47-45(48,49)28-54-42(59)44(37-14-5-3-11-34(37)35-12-4-6-15-38(35)44)22-8-24-57-40-21-20-32(25-39(40)56-43(57)60-27-29-9-7-23-53-26-29)55-41(58)36-13-2-1-10-33(36)30-16-18-31(19-17-30)46(50,51)52/h1-7,9-21,23,25-26H,8,22,24,27-28H2,(H,54,59)(H,55,58)