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

Systemtic Name: ethyl N'-(2-cyanophenyl)-N,N-bis[(4-methoxyphenyl)methyl]carbamimidothioate hydroiodide Openeye Name: 3-(2-cyanophenyl)-2-ethyl-1,1-bis[(4-methoxyphenyl)methyl]isothiourea hydroiodide CAS Name: N'-(2-cyanophenyl)-N,N-bis[(4-methoxyphenyl)methyl]carbamimidothioic acid ethyl ester hydroiodide IUPAC Name: ethyl N'-(2-cyanophenyl)-N,N-bis[(4-methoxyphenyl)methyl]carbamimidothioate hydroiodide Traditional Name: 3-(2-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=CC=C1C#N)N(CC2=CC=C(C=C2)OC)CC3=CC=C(C=C3)OC.I

Isomeric SMILES

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

InChI

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