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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)N=C(N(CC2=CC=C(C=C2)OC)CC3=CC=C(C=C3)OC)SC.I

Isomeric SMILES

CCCCC1=CC=C(C=C1)N=C(N(CC2=CC=C(C=C2)OC)CC3=CC=C(C=C3)OC)SC.I

InChI

InChI=1S/C28H34N2O2S.HI/c1-5-6-7-22-8-14-25(15-9-22)29-28(33-4)30(20-23-10-16-26(31-2)17-11-23)21-24-12-18-27(32-3)19-13-24;/h8-19H,5-7,20-21H2,1-4H3;1H