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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H26N2O3S.HI/c1-4-5-10-18-16(23-3)19-13-17(21-11-12-22-17)14-6-8-15(20-2)9-7-14;/h6-9H,4-5,10-13H2,1-3H3,(H,18,19);1H