methyl N'-[(E)-(4-ethoxy-3-methoxy-phenyl)methylideneamino]carbamimidothioate hydroiodide

Systemtic Name: methyl N'-[(E)-(4-ethoxy-3-methoxy-phenyl)methylideneamino]carbamimidothioate hydroiodide Openeye Name: 3-[(E)-(4-ethoxy-3-methoxy-phenyl)methyleneamino]-2-methyl-isothiourea hydroiodide CAS Name: N'-[(E)-(4-ethoxy-3-methoxyphenyl)methylideneamino]carbamimidothioic acid methyl ester hydroiodide IUPAC Name: methyl N'-[(E)-(4-ethoxy-3-methoxyphenyl)methylideneamino]carbamimidothioate hydroiodide Traditional Name: 3-[(E)-(4-ethoxy-3-methoxy-benzylidene)amino]-2-methyl-isothiourea hydroiodide Formula: C12H18IN3O2S MolecularWeight: 395.25969

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C=NN=C(N)SC)OC.I

Isomeric SMILES

CCOC1=C(C=C(C=C1)/C=N/N=C(\N)/SC)OC.I

InChI

InChI=1S/C12H17N3O2S.HI/c1-4-17-10-6-5-9(7-11(10)16-2)8-14-15-12(13)18-3;/h5-8H,4H2,1-3H3,(H2,13,15);1H/b14-8+;