[4-[2-(2,4-dichlorophenyl)-4-[[2-(dimethylamino)cyclohexyl]carbamothioyl]-5-methyl-imidazol-1-yl]phenyl] 3,3,3-tris(fluoranyl)propane-1-sulfonate

Systemtic Name: [4-[2-(2,4-dichlorophenyl)-4-[[2-(dimethylamino)cyclohexyl]carbamothioyl]-5-methyl-imidazol-1-yl]phenyl] 3,3,3-tris(fluoranyl)propane-1-sulfonate Openeye Name: [4-[2-(2,4-dichlorophenyl)-4-[[2-(dimethylamino)cyclohexyl]carbamothioyl]-5-methyl-imidazol-1-yl]phenyl] 3,3,3-trifluoropropane-1-sulfonate CAS Name: 3,3,3-trifluoro-1-propanesulfonic acid IUPAC Name: [4-[2-(2,4-dichlorophenyl)-4-[[2-(dimethylamino)cyclohexyl]carbamothioyl]-5-methylimidazol-1-yl]phenyl] 3,3,3-trifluoropropane-1-sulfonate Traditional Name: 3,3,3-trifluoropropane-1-sulfonic acid [4-[2-(2,4-dichlorophenyl)-4-[[2-(dimethylamino)cyclohexyl]thiocarbamoyl]-5-methyl-imidazol-1-yl]phenyl] ester Formula: C28H31Cl2F3N4O3S2 MolecularWeight: 663.60195

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=C(N1C2=CC=C(C=C2)OS(=O)(=O)CCC(F)(F)F)C3=C(C=C(C=C3)Cl)Cl)C(=S)NC4CCCCC4N(C)C

Isomeric SMILES

CC1=C(N=C(N1C2=CC=C(C=C2)OS(=O)(=O)CCC(F)(F)F)C3=C(C=C(C=C3)Cl)Cl)C(=S)NC4CCCCC4N(C)C

InChI

InChI=1S/C28H31Cl2F3N4O3S2/c1-17-25(27(41)34-23-6-4-5-7-24(23)36(2)3)35-26(21-13-8-18(29)16-22(21)30)37(17)19-9-11-20(12-10-19)40-42(38,39)15-14-28(31,32)33/h8-13,16,23-24H,4-7,14-15H2,1-3H3,(H,34,41)