dodecyl N'-[2-(4-methoxyphenyl)ethyl]carbamimidothioate hydrobromide

Systemtic Name: dodecyl N'-[2-(4-methoxyphenyl)ethyl]carbamimidothioate hydrobromide Openeye Name: 2-dodecyl-3-[2-(4-methoxyphenyl)ethyl]isothiourea hydrobromide CAS Name: N'-[2-(4-methoxyphenyl)ethyl]carbamimidothioic acid dodecyl ester hydrobromide IUPAC Name: dodecyl N'-[2-(4-methoxyphenyl)ethyl]carbamimidothioate hydrobromide Traditional Name: 2-lauryl-3-[2-(4-methoxyphenyl)ethyl]isothiourea hydrobromide Formula: C22H39BrN2OS MolecularWeight: 459.52686

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCSC(=NCCC1=CC=C(C=C1)OC)N.Br

Isomeric SMILES

CCCCCCCCCCCCSC(=NCCC1=CC=C(C=C1)OC)N.Br

InChI

InChI=1S/C22H38N2OS.BrH/c1-3-4-5-6-7-8-9-10-11-12-19-26-22(23)24-18-17-20-13-15-21(25-2)16-14-20;/h13-16H,3-12,17-19H2,1-2H3,(H2,23,24);1H