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

Systemtic Name: methyl N-ethyl-N'-[[2-(4-methoxyphenyl)-1,3-dioxolan-2-yl]methyl]carbamimidothioate hydroiodide Openeye Name: 1-ethyl-3-[[2-(4-methoxyphenyl)-1,3-dioxolan-2-yl]methyl]-2-methyl-isothiourea hydroiodide CAS Name: N-ethyl-N'-[[2-(4-methoxyphenyl)-1,3-dioxolan-2-yl]methyl]carbamimidothioic acid methyl ester hydroiodide IUPAC Name: methyl N-ethyl-N'-[[2-(4-methoxyphenyl)-1,3-dioxolan-2-yl]methyl]carbamimidothioate hydroiodide Traditional Name: 1-ethyl-3-[[2-(4-methoxyphenyl)-1,3-dioxolan-2-yl]methyl]-2-methyl-isothiourea hydroiodide Formula: C15H23IN2O3S MolecularWeight: 438.32419

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H22N2O3S.HI/c1-4-16-14(21-3)17-11-15(19-9-10-20-15)12-5-7-13(18-2)8-6-12;/h5-8H,4,9-11H2,1-3H3,(H,16,17);1H