methyl N'-(2-butan-2-ylphenyl)-N,N-bis[(4-methoxyphenyl)methyl]carbamimidothioate hydroiodide

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC=CC=C1N=C(N(CC2=CC=C(C=C2)OC)CC3=CC=C(C=C3)OC)SC.I

Isomeric SMILES

CCC(C)C1=CC=CC=C1N=C(N(CC2=CC=C(C=C2)OC)CC3=CC=C(C=C3)OC)SC.I

InChI

InChI=1S/C28H34N2O2S.HI/c1-6-21(2)26-9-7-8-10-27(26)29-28(33-5)30(19-22-11-15-24(31-3)16-12-22)20-23-13-17-25(32-4)18-14-23;/h7-18,21H,6,19-20H2,1-5H3;1H