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

Systemtic Name: ethyl N,N-bis[(4-methoxyphenyl)methyl]-N'-(4-phenoxyphenyl)carbamimidothioate hydroiodide Openeye Name: 2-ethyl-1,1-bis[(4-methoxyphenyl)methyl]-3-(4-phenoxyphenyl)isothiourea hydroiodide CAS Name: N,N-bis[(4-methoxyphenyl)methyl]-N'-(4-phenoxyphenyl)carbamimidothioic acid ethyl ester hydroiodide IUPAC Name: ethyl N,N-bis[(4-methoxyphenyl)methyl]-N'-(4-phenoxyphenyl)carbamimidothioate hydroiodide Traditional Name: 2-ethyl-1,1-bis(p-anisyl)-3-(4-phenoxyphenyl)isothiourea hydroiodide Formula: C31H33IN2O3S MolecularWeight: 640.57479

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCSC(=NC1=CC=C(C=C1)OC2=CC=CC=C2)N(CC3=CC=C(C=C3)OC)CC4=CC=C(C=C4)OC.I

Isomeric SMILES

CCSC(=NC1=CC=C(C=C1)OC2=CC=CC=C2)N(CC3=CC=C(C=C3)OC)CC4=CC=C(C=C4)OC.I

InChI

InChI=1S/C31H32N2O3S.HI/c1-4-37-31(32-26-14-20-30(21-15-26)36-29-8-6-5-7-9-29)33(22-24-10-16-27(34-2)17-11-24)23-25-12-18-28(35-3)19-13-25;/h5-21H,4,22-23H2,1-3H3;1H