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

Systemtic Name: methyl N'-(4-methoxyphenyl)-N,N-bis[(4-methoxyphenyl)methyl]carbamimidothioate hydroiodide Openeye Name: 3-(4-methoxyphenyl)-1,1-bis[(4-methoxyphenyl)methyl]-2-methyl-isothiourea hydroiodide CAS Name: N'-(4-methoxyphenyl)-N,N-bis[(4-methoxyphenyl)methyl]carbamimidothioic acid methyl ester hydroiodide IUPAC Name: methyl N'-(4-methoxyphenyl)-N,N-bis[(4-methoxyphenyl)methyl]carbamimidothioate hydroiodide Traditional Name: 3-(4-methoxyphenyl)-2-methyl-1,1-bis(p-anisyl)isothiourea hydroiodide Formula: C25H29IN2O3S MolecularWeight: 564.47883

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CN(CC2=CC=C(C=C2)OC)C(=NC3=CC=C(C=C3)OC)SC.I

Isomeric SMILES

COC1=CC=C(C=C1)CN(CC2=CC=C(C=C2)OC)C(=NC3=CC=C(C=C3)OC)SC.I

InChI

InChI=1S/C25H28N2O3S.HI/c1-28-22-11-5-19(6-12-22)17-27(18-20-7-13-23(29-2)14-8-20)25(31-4)26-21-9-15-24(30-3)16-10-21;/h5-16H,17-18H2,1-4H3;1H