methyl N,N-bis[(4-methoxyphenyl)methyl]-N'-(2-methyl-6-propan-2-yl-phenyl)carbamimidothioate hydroiodide

Systemtic Name: methyl N,N-bis[(4-methoxyphenyl)methyl]-N'-(2-methyl-6-propan-2-yl-phenyl)carbamimidothioate hydroiodide Openeye Name: 3-(2-isopropyl-6-methyl-phenyl)-1,1-bis[(4-methoxyphenyl)methyl]-2-methyl-isothiourea hydroiodide CAS Name: N,N-bis[(4-methoxyphenyl)methyl]-N'-(2-methyl-6-propan-2-ylphenyl)carbamimidothioic acid methyl ester hydroiodide IUPAC Name: methyl N,N-bis[(4-methoxyphenyl)methyl]-N'-(2-methyl-6-propan-2-ylphenyl)carbamimidothioate hydroiodide Traditional Name: 3-(2-isopropyl-6-methyl-phenyl)-2-methyl-1,1-bis(p-anisyl)isothiourea hydroiodide Formula: C28H35IN2O2S MolecularWeight: 590.55917

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C(C)C)N=C(N(CC2=CC=C(C=C2)OC)CC3=CC=C(C=C3)OC)SC.I

Isomeric SMILES

CC1=C(C(=CC=C1)C(C)C)N=C(N(CC2=CC=C(C=C2)OC)CC3=CC=C(C=C3)OC)SC.I

InChI

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