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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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