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

Systemtic Name: ethyl N,N-bis[(4-methoxyphenyl)methyl]-N'-(4-methylphenyl)carbamimidothioate hydroiodide Openeye Name: 2-ethyl-1,1-bis[(4-methoxyphenyl)methyl]-3-(p-tolyl)isothiourea hydroiodide CAS Name: N,N-bis[(4-methoxyphenyl)methyl]-N'-(4-methylphenyl)carbamimidothioic acid ethyl ester hydroiodide IUPAC Name: ethyl N,N-bis[(4-methoxyphenyl)methyl]-N'-(4-methylphenyl)carbamimidothioate hydroiodide Traditional Name: 2-ethyl-1,1-bis(p-anisyl)-3-(p-tolyl)isothiourea hydroiodide Formula: C26H31IN2O2S MolecularWeight: 562.50601

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Descriptors Computed from Structure

Canonical SMILES:

CCSC(=NC1=CC=C(C=C1)C)N(CC2=CC=C(C=C2)OC)CC3=CC=C(C=C3)OC.I

Isomeric SMILES

CCSC(=NC1=CC=C(C=C1)C)N(CC2=CC=C(C=C2)OC)CC3=CC=C(C=C3)OC.I

InChI

InChI=1S/C26H30N2O2S.HI/c1-5-31-26(27-23-12-6-20(2)7-13-23)28(18-21-8-14-24(29-3)15-9-21)19-22-10-16-25(30-4)17-11-22;/h6-17H,5,18-19H2,1-4H3;1H