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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1N=C(N(CC2=CC=C(C=C2)OC)CC3=CC=C(C=C3)OC)SCC.I

Isomeric SMILES

CCOC1=CC=CC=C1N=C(N(CC2=CC=C(C=C2)OC)CC3=CC=C(C=C3)OC)SCC.I

InChI

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