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

Systemtic Name: methyl N'-(2-ethoxyphenyl)-N,N-bis[(4-methoxyphenyl)methyl]carbamimidothioate hydroiodide Openeye Name: 3-(2-ethoxyphenyl)-1,1-bis[(4-methoxyphenyl)methyl]-2-methyl-isothiourea hydroiodide CAS Name: N'-(2-ethoxyphenyl)-N,N-bis[(4-methoxyphenyl)methyl]carbamimidothioic acid methyl ester hydroiodide IUPAC Name: methyl N'-(2-ethoxyphenyl)-N,N-bis[(4-methoxyphenyl)methyl]carbamimidothioate hydroiodide Traditional Name: 2-methyl-3-o-phenetyl-1,1-bis(p-anisyl)isothiourea hydroiodide Formula: C26H31IN2O3S MolecularWeight: 578.50541

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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)SC.I

Isomeric SMILES

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

InChI

InChI=1S/C26H30N2O3S.HI/c1-5-31-25-9-7-6-8-24(25)27-26(32-4)28(18-20-10-14-22(29-2)15-11-20)19-21-12-16-23(30-3)17-13-21;/h6-17H,5,18-19H2,1-4H3;1H