ethyl N,N-bis[(4-methoxyphenyl)methyl]-N'-(4-propan-2-ylphenyl)carbamimidothioate hydroiodide

Systemtic Name: ethyl N,N-bis[(4-methoxyphenyl)methyl]-N'-(4-propan-2-ylphenyl)carbamimidothioate hydroiodide Openeye Name: 2-ethyl-3-(4-isopropylphenyl)-1,1-bis[(4-methoxyphenyl)methyl]isothiourea hydroiodide CAS Name: N,N-bis[(4-methoxyphenyl)methyl]-N'-(4-propan-2-ylphenyl)carbamimidothioic acid ethyl ester hydroiodide IUPAC Name: ethyl N,N-bis[(4-methoxyphenyl)methyl]-N'-(4-propan-2-ylphenyl)carbamimidothioate hydroiodide Traditional Name: 2-ethyl-1,1-bis(p-anisyl)-3-p-cumenyl-isothiourea hydroiodide Formula: C28H35IN2O2S MolecularWeight: 590.55917

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H34N2O2S.HI/c1-6-33-28(29-25-13-11-24(12-14-25)21(2)3)30(19-22-7-15-26(31-4)16-8-22)20-23-9-17-27(32-5)18-10-23;/h7-18,21H,6,19-20H2,1-5H3;1H