ethyl N'-[C-ethylsulfanyl-N-(4-methoxyphenyl)carbonimidoyl]carbamimidate hydroiodide

Systemtic Name: ethyl N'-[C-ethylsulfanyl-N-(4-methoxyphenyl)carbonimidoyl]carbamimidate hydroiodide Openeye Name: 2-ethyl-3-[C-ethylsulfanyl-N-(4-methoxyphenyl)carbonimidoyl]isourea hydroiodide CAS Name: N'-[(ethylthio)-(4-methoxyphenyl)iminomethyl]carbamimidic acid ethyl ester hydroiodide IUPAC Name: ethyl N'-[C-ethylsulfanyl-N-(4-methoxyphenyl)carbonimidoyl]carbamimidate hydroiodide Traditional Name: 2-ethyl-3-[C-(ethylthio)-N-(4-methoxyphenyl)carbonimidoyl]isourea hydroiodide Formula: C13H20IN3O2S MolecularWeight: 409.28627

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=NC(=NC1=CC=C(C=C1)OC)SCC)N.I

Isomeric SMILES

CCO/C(=N/C(=NC1=CC=C(C=C1)OC)SCC)/N.I

InChI

InChI=1S/C13H19N3O2S.HI/c1-4-18-12(14)16-13(19-5-2)15-10-6-8-11(17-3)9-7-10;/h6-9H,4-5H2,1-3H3,(H2,14,15,16);1H