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

Systemtic Name: methyl N'-(2-ethyl-6-methyl-phenyl)-N,N-bis[(4-methoxyphenyl)methyl]carbamimidothioate hydroiodide Openeye Name: 3-(2-ethyl-6-methyl-phenyl)-1,1-bis[(4-methoxyphenyl)methyl]-2-methyl-isothiourea hydroiodide CAS Name: N'-(2-ethyl-6-methylphenyl)-N,N-bis[(4-methoxyphenyl)methyl]carbamimidothioic acid methyl ester hydroiodide IUPAC Name: methyl N'-(2-ethyl-6-methylphenyl)-N,N-bis[(4-methoxyphenyl)methyl]carbamimidothioate hydroiodide Traditional Name: 3-(2-ethyl-6-methyl-phenyl)-2-methyl-1,1-bis(p-anisyl)isothiourea hydroiodide Formula: C27H33IN2O2S MolecularWeight: 576.53259

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC(=C1N=C(N(CC2=CC=C(C=C2)OC)CC3=CC=C(C=C3)OC)SC)C.I

Isomeric SMILES

CCC1=CC=CC(=C1N=C(N(CC2=CC=C(C=C2)OC)CC3=CC=C(C=C3)OC)SC)C.I

InChI

InChI=1S/C27H32N2O2S.HI/c1-6-23-9-7-8-20(2)26(23)28-27(32-5)29(18-21-10-14-24(30-3)15-11-21)19-22-12-16-25(31-4)17-13-22;/h7-17H,6,18-19H2,1-5H3;1H