3-[(3,4-dimethoxyphenyl)methyl]-1-(4-oxidanylcyclohexyl)-5-(trifluoromethyl)benzimidazole-2-thione

Systemtic Name: 3-[(3,4-dimethoxyphenyl)methyl]-1-(4-oxidanylcyclohexyl)-5-(trifluoromethyl)benzimidazole-2-thione Openeye Name: 3-[(3,4-dimethoxyphenyl)methyl]-1-(4-hydroxycyclohexyl)-5-(trifluoromethyl)benzimidazole-2-thione CAS Name: 3-[(3,4-dimethoxyphenyl)methyl]-1-(4-hydroxycyclohexyl)-5-(trifluoromethyl)-2-benzimidazolethione IUPAC Name: 3-[(3,4-dimethoxyphenyl)methyl]-1-(4-hydroxycyclohexyl)-5-(trifluoromethyl)benzimidazole-2-thione Traditional Name: 1-(4-hydroxycyclohexyl)-5-(trifluoromethyl)-3-veratryl-benzimidazole-2-thione Formula: C23H25F3N2O3S MolecularWeight: 466.51641

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CN2C3=C(C=CC(=C3)C(F)(F)F)N(C2=S)C4CCC(CC4)O)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CN2C3=C(C=CC(=C3)C(F)(F)F)N(C2=S)C4CCC(CC4)O)OC

InChI

InChI=1S/C23H25F3N2O3S/c1-30-20-10-3-14(11-21(20)31-2)13-27-19-12-15(23(24,25)26)4-9-18(19)28(22(27)32)16-5-7-17(29)8-6-16/h3-4,9-12,16-17,29H,5-8,13H2,1-2H3