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

Systemtic Name: ethyl N'-(4-cyanophenyl)-N,N-bis[(4-methoxyphenyl)methyl]carbamimidothioate hydroiodide Openeye Name: 3-(4-cyanophenyl)-2-ethyl-1,1-bis[(4-methoxyphenyl)methyl]isothiourea hydroiodide CAS Name: N'-(4-cyanophenyl)-N,N-bis[(4-methoxyphenyl)methyl]carbamimidothioic acid ethyl ester hydroiodide IUPAC Name: ethyl N'-(4-cyanophenyl)-N,N-bis[(4-methoxyphenyl)methyl]carbamimidothioate hydroiodide Traditional Name: 3-(4-cyanophenyl)-2-ethyl-1,1-bis(p-anisyl)isothiourea hydroiodide Formula: C26H28IN3O2S MolecularWeight: 573.48889

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H27N3O2S.HI/c1-4-32-26(28-23-11-5-20(17-27)6-12-23)29(18-21-7-13-24(30-2)14-8-21)19-22-9-15-25(31-3)16-10-22;/h5-16H,4,18-19H2,1-3H3;1H