ethyl N'-[3-(4-chlorophenyl)-1-oxidanidyl-2,5-diphenyl-4H-imidazol-1-ium-2-yl]-N,N-dimethyl-carbamimidothioate

Systemtic Name: ethyl N'-[3-(4-chlorophenyl)-1-oxidanidyl-2,5-diphenyl-4H-imidazol-1-ium-2-yl]-N,N-dimethyl-carbamimidothioate Openeye Name: 3-[3-(4-chlorophenyl)-1-oxido-2,5-diphenyl-4H-imidazol-1-ium-2-yl]-2-ethyl-1,1-dimethyl-isothiourea CAS Name: N'-[3-(4-chlorophenyl)-1-oxido-2,5-diphenyl-4H-imidazol-1-ium-2-yl]-N,N-dimethylcarbamimidothioic acid ethyl ester IUPAC Name: ethyl N'-[3-(4-chlorophenyl)-1-oxido-2,5-diphenyl-4H-imidazol-1-ium-2-yl]-N,N-dimethylcarbamimidothioate Traditional Name: 3-[1-(4-chlorophenyl)-3-oxido-2,4-diphenyl-3-imidazolin-3-ium-2-yl]-2-ethyl-1,1-dimethyl-isothiourea Formula: C26H27ClN4OS MolecularWeight: 479.03678

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Descriptors Computed from Structure

Canonical SMILES:

CCSC(=NC1(N(CC(=[N+]1[O-])C2=CC=CC=C2)C3=CC=C(C=C3)Cl)C4=CC=CC=C4)N(C)C

Isomeric SMILES

CCS/C(=N/C1(N(CC(=[N+]1[O-])C2=CC=CC=C2)C3=CC=C(C=C3)Cl)C4=CC=CC=C4)/N(C)C

InChI

InChI=1S/C26H27ClN4OS/c1-4-33-25(29(2)3)28-26(21-13-9-6-10-14-21)30(23-17-15-22(27)16-18-23)19-24(31(26)32)20-11-7-5-8-12-20/h5-18H,4,19H2,1-3H3/b28-25+