ethyl N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-N'-prop-2-enyl-carbamimidothioate hydroiodide

Systemtic Name: ethyl N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-N'-prop-2-enyl-carbamimidothioate hydroiodide Openeye Name: 3-allyl-2-ethyl-1-[2-(5-methoxy-1H-indol-3-yl)ethyl]isothiourea hydroiodide CAS Name: N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-N'-prop-2-enylcarbamimidothioic acid ethyl ester hydroiodide IUPAC Name: ethyl N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-N'-prop-2-enylcarbamimidothioate hydroiodide Traditional Name: 3-allyl-2-ethyl-1-[2-(5-methoxy-1H-indol-3-yl)ethyl]isothiourea hydroiodide Formula: C17H24IN3OS MolecularWeight: 445.36143

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Descriptors Computed from Structure

Canonical SMILES:

CCSC(=NCC=C)NCCC1=CNC2=C1C=C(C=C2)OC.I

Isomeric SMILES

CCSC(=NCC=C)NCCC1=CNC2=C1C=C(C=C2)OC.I

InChI

InChI=1S/C17H23N3OS.HI/c1-4-9-18-17(22-5-2)19-10-8-13-12-20-16-7-6-14(21-3)11-15(13)16;/h4,6-7,11-12,20H,1,5,8-10H2,2-3H3,(H,18,19);1H