ethyl N'-(2-methoxy-5-methyl-phenyl)-N,N-bis[(4-methoxyphenyl)methyl]carbamimidothioate hydroiodide

Systemtic Name: ethyl N'-(2-methoxy-5-methyl-phenyl)-N,N-bis[(4-methoxyphenyl)methyl]carbamimidothioate hydroiodide Openeye Name: 2-ethyl-3-(2-methoxy-5-methyl-phenyl)-1,1-bis[(4-methoxyphenyl)methyl]isothiourea hydroiodide CAS Name: N'-(2-methoxy-5-methylphenyl)-N,N-bis[(4-methoxyphenyl)methyl]carbamimidothioic acid ethyl ester hydroiodide IUPAC Name: ethyl N'-(2-methoxy-5-methylphenyl)-N,N-bis[(4-methoxyphenyl)methyl]carbamimidothioate hydroiodide Traditional Name: 2-ethyl-3-(2-methoxy-5-methyl-phenyl)-1,1-bis(p-anisyl)isothiourea hydroiodide Formula: C27H33IN2O3S MolecularWeight: 592.53199

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCSC(=NC1=C(C=CC(=C1)C)OC)N(CC2=CC=C(C=C2)OC)CC3=CC=C(C=C3)OC.I

Isomeric SMILES

CCSC(=NC1=C(C=CC(=C1)C)OC)N(CC2=CC=C(C=C2)OC)CC3=CC=C(C=C3)OC.I

InChI

InChI=1S/C27H32N2O3S.HI/c1-6-33-27(28-25-17-20(2)7-16-26(25)32-5)29(18-21-8-12-23(30-3)13-9-21)19-22-10-14-24(31-4)15-11-22;/h7-17H,6,18-19H2,1-5H3;1H