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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCSC(=NC1=CC=CC=C1C(C)C)N(CC2=CC=C(C=C2)OC)CC3=CC=C(C=C3)OC.I

Isomeric SMILES

CCSC(=NC1=CC=CC=C1C(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(29-27-10-8-7-9-26(27)21(2)3)30(19-22-11-15-24(31-4)16-12-22)20-23-13-17-25(32-5)18-14-23;/h7-18,21H,6,19-20H2,1-5H3;1H