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

Systemtic Name: methyl N'-[bis(4-methoxyphenyl)methyl]carbamimidothioate hydroiodide Openeye Name: 3-[bis(4-methoxyphenyl)methyl]-2-methyl-isothiourea hydroiodide CAS Name: N'-[bis(4-methoxyphenyl)methyl]carbamimidothioic acid methyl ester hydroiodide IUPAC Name: methyl N'-[bis(4-methoxyphenyl)methyl]carbamimidothioate hydroiodide Traditional Name: 3-[bis(4-methoxyphenyl)methyl]-2-methyl-isothiourea hydroiodide Formula: C17H21IN2O2S MolecularWeight: 444.33031

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(C2=CC=C(C=C2)OC)N=C(N)SC.I

Isomeric SMILES

COC1=CC=C(C=C1)C(C2=CC=C(C=C2)OC)N=C(N)SC.I

InChI

InChI=1S/C17H20N2O2S.HI/c1-20-14-8-4-12(5-9-14)16(19-17(18)22-3)13-6-10-15(21-2)11-7-13;/h4-11,16H,1-3H3,(H2,18,19);1H