methyl N'-[3,4-bis(phenylmethoxy)phenyl]carbamimidothioate hydroiodide

Systemtic Name: methyl N'-[3,4-bis(phenylmethoxy)phenyl]carbamimidothioate hydroiodide Openeye Name: 3-(3,4-dibenzyloxyphenyl)-2-methyl-isothiourea hydroiodide CAS Name: N'-[3,4-bis(phenylmethoxy)phenyl]carbamimidothioic acid methyl ester hydroiodide IUPAC Name: methyl N'-[3,4-bis(phenylmethoxy)phenyl]carbamimidothioate hydroiodide Traditional Name: 3-(3,4-dibenzoxyphenyl)-2-methyl-isothiourea hydroiodide Formula: C22H23IN2O2S MolecularWeight: 506.39969

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Descriptors Computed from Structure

Canonical SMILES:

CSC(=NC1=CC(=C(C=C1)OCC2=CC=CC=C2)OCC3=CC=CC=C3)N.I

Isomeric SMILES

CSC(=NC1=CC(=C(C=C1)OCC2=CC=CC=C2)OCC3=CC=CC=C3)N.I

InChI

InChI=1S/C22H22N2O2S.HI/c1-27-22(23)24-19-12-13-20(25-15-17-8-4-2-5-9-17)21(14-19)26-16-18-10-6-3-7-11-18;/h2-14H,15-16H2,1H3,(H2,23,24);1H