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

Systemtic Name: methyl N'-(4-cyanophenyl)-N,N-bis[(4-methoxyphenyl)methyl]carbamimidothioate hydroiodide Openeye Name: 3-(4-cyanophenyl)-1,1-bis[(4-methoxyphenyl)methyl]-2-methyl-isothiourea hydroiodide CAS Name: N'-(4-cyanophenyl)-N,N-bis[(4-methoxyphenyl)methyl]carbamimidothioic acid methyl ester hydroiodide IUPAC Name: methyl N'-(4-cyanophenyl)-N,N-bis[(4-methoxyphenyl)methyl]carbamimidothioate hydroiodide Traditional Name: 3-(4-cyanophenyl)-2-methyl-1,1-bis(p-anisyl)isothiourea hydroiodide Formula: C25H26IN3O2S MolecularWeight: 559.46231

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CN(CC2=CC=C(C=C2)OC)C(=NC3=CC=C(C=C3)C#N)SC.I

Isomeric SMILES

COC1=CC=C(C=C1)CN(CC2=CC=C(C=C2)OC)C(=NC3=CC=C(C=C3)C#N)SC.I

InChI

InChI=1S/C25H25N3O2S.HI/c1-29-23-12-6-20(7-13-23)17-28(18-21-8-14-24(30-2)15-9-21)25(31-3)27-22-10-4-19(16-26)5-11-22;/h4-15H,17-18H2,1-3H3;1H