methyl N-[(E)-(4-methoxyphenyl)methylideneamino]-N'-phenyl-carbamimidothioate hydroiodide

Systemtic Name: methyl N-[(E)-(4-methoxyphenyl)methylideneamino]-N'-phenyl-carbamimidothioate hydroiodide Openeye Name: 1-[(E)-(4-methoxyphenyl)methyleneamino]-2-methyl-3-phenyl-isothiourea hydroiodide CAS Name: N-[(E)-(4-methoxyphenyl)methylideneamino]-N'-phenylcarbamimidothioic acid methyl ester hydroiodide IUPAC Name: methyl N-[(E)-(4-methoxyphenyl)methylideneamino]-N'-phenylcarbamimidothioate hydroiodide Traditional Name: 2-methyl-1-[(E)-p-anisylideneamino]-3-phenyl-isothiourea hydroiodide Formula: C16H18IN3OS MolecularWeight: 427.30309

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

COC1=CC=C(C=C1)/C=N/NC(=NC2=CC=CC=C2)SC.I

InChI

InChI=1S/C16H17N3OS.HI/c1-20-15-10-8-13(9-11-15)12-17-19-16(21-2)18-14-6-4-3-5-7-14;/h3-12H,1-2H3,(H,18,19);1H/b17-12+;