ethyl N,N-bis[(4-methoxyphenyl)methyl]-N'-(2-methyl-6-propan-2-yl-phenyl)carbamimidothioate hydroiodide

Systemtic Name: ethyl N,N-bis[(4-methoxyphenyl)methyl]-N'-(2-methyl-6-propan-2-yl-phenyl)carbamimidothioate hydroiodide Openeye Name: 2-ethyl-3-(2-isopropyl-6-methyl-phenyl)-1,1-bis[(4-methoxyphenyl)methyl]isothiourea hydroiodide CAS Name: N,N-bis[(4-methoxyphenyl)methyl]-N'-(2-methyl-6-propan-2-ylphenyl)carbamimidothioic acid ethyl ester hydroiodide IUPAC Name: ethyl N,N-bis[(4-methoxyphenyl)methyl]-N'-(2-methyl-6-propan-2-ylphenyl)carbamimidothioate hydroiodide Traditional Name: 2-ethyl-3-(2-isopropyl-6-methyl-phenyl)-1,1-bis(p-anisyl)isothiourea hydroiodide Formula: C29H37IN2O2S MolecularWeight: 604.58575

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H36N2O2S.HI/c1-7-34-29(30-28-22(4)9-8-10-27(28)21(2)3)31(19-23-11-15-25(32-5)16-12-23)20-24-13-17-26(33-6)18-14-24;/h8-18,21H,7,19-20H2,1-6H3;1H