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

Systemtic Name: ethyl N'-(4-dimethylaminophenyl)-N,N-bis[(4-methoxyphenyl)methyl]carbamimidothioate hydroiodide Openeye Name: 3-(4-dimethylaminophenyl)-2-ethyl-1,1-bis[(4-methoxyphenyl)methyl]isothiourea hydroiodide CAS Name: N'-(4-dimethylaminophenyl)-N,N-bis[(4-methoxyphenyl)methyl]carbamimidothioic acid ethyl ester hydroiodide IUPAC Name: ethyl N'-(4-dimethylaminophenyl)-N,N-bis[(4-methoxyphenyl)methyl]carbamimidothioate hydroiodide Traditional Name: 3-(4-dimethylaminophenyl)-2-ethyl-1,1-bis(p-anisyl)isothiourea hydroiodide Formula: C27H34IN3O2S MolecularWeight: 591.54723

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H33N3O2S.HI/c1-6-33-27(28-23-11-13-24(14-12-23)29(2)3)30(19-21-7-15-25(31-4)16-8-21)20-22-9-17-26(32-5)18-10-22;/h7-18H,6,19-20H2,1-5H3;1H