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

Systemtic Name: methyl N-butyl-N'-[2-(4-methoxyphenyl)-1,3-dioxolan-2-yl]-N-methyl-carbamimidothioate hydroiodide Openeye Name: 1-butyl-3-[2-(4-methoxyphenyl)-1,3-dioxolan-2-yl]-1,2-dimethyl-isothiourea hydroiodide CAS Name: N-butyl-N'-[2-(4-methoxyphenyl)-1,3-dioxolan-2-yl]-N-methylcarbamimidothioic acid methyl ester hydroiodide IUPAC Name: methyl N-butyl-N'-[2-(4-methoxyphenyl)-1,3-dioxolan-2-yl]-N-methylcarbamimidothioate hydroiodide Traditional Name: 1-butyl-3-[2-(4-methoxyphenyl)-1,3-dioxolan-2-yl]-1,2-dimethyl-isothiourea hydroiodide Formula: C17H27IN2O3S MolecularWeight: 466.37735

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(C)C(=NC1(OCCO1)C2=CC=C(C=C2)OC)SC.I

Isomeric SMILES

CCCCN(C)/C(=N\C1(OCCO1)C2=CC=C(C=C2)OC)/SC.I

InChI

InChI=1S/C17H26N2O3S.HI/c1-5-6-11-19(2)16(23-4)18-17(21-12-13-22-17)14-7-9-15(20-3)10-8-14;/h7-10H,5-6,11-13H2,1-4H3;1H/b18-16+;