methyl N,N-bis[(4-methoxyphenyl)methyl]-N'-(3-methylphenyl)carbamimidothioate hydroiodide

Systemtic Name: methyl N,N-bis[(4-methoxyphenyl)methyl]-N'-(3-methylphenyl)carbamimidothioate hydroiodide Openeye Name: 1,1-bis[(4-methoxyphenyl)methyl]-2-methyl-3-(m-tolyl)isothiourea hydroiodide CAS Name: N,N-bis[(4-methoxyphenyl)methyl]-N'-(3-methylphenyl)carbamimidothioic acid methyl ester hydroiodide IUPAC Name: methyl N,N-bis[(4-methoxyphenyl)methyl]-N'-(3-methylphenyl)carbamimidothioate hydroiodide Traditional Name: 2-methyl-3-(m-tolyl)-1,1-bis(p-anisyl)isothiourea hydroiodide Formula: C25H29IN2O2S MolecularWeight: 548.47943

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N=C(N(CC2=CC=C(C=C2)OC)CC3=CC=C(C=C3)OC)SC.I

Isomeric SMILES

CC1=CC(=CC=C1)N=C(N(CC2=CC=C(C=C2)OC)CC3=CC=C(C=C3)OC)SC.I

InChI

InChI=1S/C25H28N2O2S.HI/c1-19-6-5-7-22(16-19)26-25(30-4)27(17-20-8-12-23(28-2)13-9-20)18-21-10-14-24(29-3)15-11-21;/h5-16H,17-18H2,1-4H3;1H