methyl N'-[2-[(4-methoxyphenyl)methylsulfanyl]ethyl]-N-phenyl-carbamimidothioate hydroiodide

Systemtic Name: methyl N'-[2-[(4-methoxyphenyl)methylsulfanyl]ethyl]-N-phenyl-carbamimidothioate hydroiodide Openeye Name: 3-[2-[(4-methoxyphenyl)methylsulfanyl]ethyl]-2-methyl-1-phenyl-isothiourea hydroiodide CAS Name: N'-[2-[(4-methoxyphenyl)methylthio]ethyl]-N-phenylcarbamimidothioic acid methyl ester hydroiodide IUPAC Name: methyl N'-[2-[(4-methoxyphenyl)methylsulfanyl]ethyl]-N-phenylcarbamimidothioate hydroiodide Traditional Name: 2-methyl-3-[2-(p-anisylthio)ethyl]-1-phenyl-isothiourea hydroiodide Formula: C18H23IN2OS2 MolecularWeight: 474.42249

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CSCCN=C(NC2=CC=CC=C2)SC.I

Isomeric SMILES

COC1=CC=C(C=C1)CSCCN=C(NC2=CC=CC=C2)SC.I

InChI

InChI=1S/C18H22N2OS2.HI/c1-21-17-10-8-15(9-11-17)14-23-13-12-19-18(22-2)20-16-6-4-3-5-7-16;/h3-11H,12-14H2,1-2H3,(H,19,20);1H