methyl N'-[3,5-bis(4-methylphenyl)-1-oxidanidyl-2-phenyl-4H-imidazol-1-ium-2-yl]-N,N-dimethyl-carbamimidothioate

Systemtic Name: methyl N'-[3,5-bis(4-methylphenyl)-1-oxidanidyl-2-phenyl-4H-imidazol-1-ium-2-yl]-N,N-dimethyl-carbamimidothioate Openeye Name: 1,1,2-trimethyl-3-[1-oxido-2-phenyl-3,5-bis(p-tolyl)-4H-imidazol-1-ium-2-yl]isothiourea CAS Name: N'-[3,5-bis(4-methylphenyl)-1-oxido-2-phenyl-4H-imidazol-1-ium-2-yl]-N,N-dimethylcarbamimidothioic acid methyl ester IUPAC Name: methyl N'-[3,5-bis(4-methylphenyl)-1-oxido-2-phenyl-4H-imidazol-1-ium-2-yl]-N,N-dimethylcarbamimidothioate Traditional Name: 1,1,2-trimethyl-3-[3-oxido-2-phenyl-1,4-bis(p-tolyl)-3-imidazolin-3-ium-2-yl]isothiourea Formula: C27H30N4OS MolecularWeight: 458.6183

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=[N+](C(N(C2)C3=CC=C(C=C3)C)(C4=CC=CC=C4)N=C(N(C)C)SC)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)C2=[N+](C(N(C2)C3=CC=C(C=C3)C)(C4=CC=CC=C4)/N=C(\N(C)C)/SC)[O-]

InChI

InChI=1S/C27H30N4OS/c1-20-11-15-22(16-12-20)25-19-30(24-17-13-21(2)14-18-24)27(31(25)32,23-9-7-6-8-10-23)28-26(33-5)29(3)4/h6-18H,19H2,1-5H3/b28-26+