methyl N-(2-ethoxyphenyl)-N'-propanoyl-carbamimidothioate hydroiodide

Systemtic Name: methyl N-(2-ethoxyphenyl)-N'-propanoyl-carbamimidothioate hydroiodide Openeye Name: N-[(2-ethoxyanilino)-methylsulfanyl-methylene]propanamide hydroiodide CAS Name: N-(2-ethoxyphenyl)-N'-(1-oxopropyl)carbamimidothioic acid methyl ester hydroiodide IUPAC Name: methyl N-(2-ethoxyphenyl)-N'-propanoylcarbamimidothioate hydroiodide Traditional Name: N-[(methylthio)-(o-phenetidino)methylene]propionamide hydroiodide Formula: C13H19IN2O2S MolecularWeight: 394.27163

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)N=C(NC1=CC=CC=C1OCC)SC.I

Isomeric SMILES

CCC(=O)N=C(NC1=CC=CC=C1OCC)SC.I

InChI

InChI=1S/C13H18N2O2S.HI/c1-4-12(16)15-13(18-3)14-10-8-6-7-9-11(10)17-5-2;/h6-9H,4-5H2,1-3H3,(H,14,15,16);1H