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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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