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

Systemtic Name: methyl N,N-dimethyl-N'-[3-(4-methylphenyl)-1-oxidanidyl-2,5-diphenyl-4H-imidazol-1-ium-2-yl]carbamimidothioate Openeye Name: 1,1,2-trimethyl-3-[1-oxido-2,5-diphenyl-3-(p-tolyl)-4H-imidazol-1-ium-2-yl]isothiourea CAS Name: N,N-dimethyl-N'-[3-(4-methylphenyl)-1-oxido-2,5-diphenyl-4H-imidazol-1-ium-2-yl]carbamimidothioic acid methyl ester IUPAC Name: methyl N,N-dimethyl-N'-[3-(4-methylphenyl)-1-oxido-2,5-diphenyl-4H-imidazol-1-ium-2-yl]carbamimidothioate Traditional Name: 1,1,2-trimethyl-3-[3-oxido-2,4-diphenyl-1-(p-tolyl)-3-imidazolin-3-ium-2-yl]isothiourea Formula: C26H28N4OS MolecularWeight: 444.59172

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2CC(=[N+](C2(C3=CC=CC=C3)N=C(N(C)C)SC)[O-])C4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)N2CC(=[N+](C2(C3=CC=CC=C3)/N=C(\N(C)C)/SC)[O-])C4=CC=CC=C4

InChI

InChI=1S/C26H28N4OS/c1-20-15-17-23(18-16-20)29-19-24(21-11-7-5-8-12-21)30(31)26(29,22-13-9-6-10-14-22)27-25(32-4)28(2)3/h5-18H,19H2,1-4H3/b27-25+