hexadecyl N,N'-diethylcarbamimidothioate hydrochloride

Systemtic Name: hexadecyl N,N'-diethylcarbamimidothioate hydrochloride Openeye Name: 1,3-diethyl-2-hexadecyl-isothiourea hydrochloride CAS Name: N,N'-diethylcarbamimidothioic acid hexadecyl ester hydrochloride IUPAC Name: hexadecyl N,N'-diethylcarbamimidothioate hydrochloride Traditional Name: 2-cetyl-1,3-diethyl-isothiourea hydrochloride Formula: C21H45ClN2S MolecularWeight: 393.1134

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCSC(=NCC)NCC.Cl

Isomeric SMILES

CCCCCCCCCCCCCCCCSC(=NCC)NCC.Cl

InChI

InChI=1S/C21H44N2S.ClH/c1-4-7-8-9-10-11-12-13-14-15-16-17-18-19-20-24-21(22-5-2)23-6-3;/h4-20H2,1-3H3,(H,22,23);1H