methyl N-[[2-(4-methoxyphenyl)-1,3-dioxolan-2-yl]methyl]-N'-methyl-carbamimidothioate hydroiodide

Systemtic Name: methyl N-[[2-(4-methoxyphenyl)-1,3-dioxolan-2-yl]methyl]-N'-methyl-carbamimidothioate hydroiodide Openeye Name: 1-[[2-(4-methoxyphenyl)-1,3-dioxolan-2-yl]methyl]-2,3-dimethyl-isothiourea hydroiodide CAS Name: N-[[2-(4-methoxyphenyl)-1,3-dioxolan-2-yl]methyl]-N'-methylcarbamimidothioic acid methyl ester hydroiodide IUPAC Name: methyl N-[[2-(4-methoxyphenyl)-1,3-dioxolan-2-yl]methyl]-N'-methylcarbamimidothioate hydroiodide Traditional Name: 1-[[2-(4-methoxyphenyl)-1,3-dioxolan-2-yl]methyl]-2,3-dimethyl-isothiourea hydroiodide Formula: C14H21IN2O3S MolecularWeight: 424.29761

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Descriptors Computed from Structure

Canonical SMILES:

CN=C(NCC1(OCCO1)C2=CC=C(C=C2)OC)SC.I

Isomeric SMILES

CN=C(NCC1(OCCO1)C2=CC=C(C=C2)OC)SC.I

InChI

InChI=1S/C14H20N2O3S.HI/c1-15-13(20-3)16-10-14(18-8-9-19-14)11-4-6-12(17-2)7-5-11;/h4-7H,8-10H2,1-3H3,(H,15,16);1H