2-phenethylsulfanylethyl carbamimidothioate hydrochloride

Systemtic Name: 2-phenethylsulfanylethyl carbamimidothioate hydrochloride Openeye Name: 2-(2-phenethylsulfanylethyl)isothiourea hydrochloride CAS Name: carbamimidothioic acid 2-(phenethylthio)ethyl ester hydrochloride IUPAC Name: 2-phenethylsulfanylethyl carbamimidothioate hydrochloride Traditional Name: 2-[2-(phenethylthio)ethyl]isothiourea hydrochloride Formula: C11H17ClN2S2 MolecularWeight: 276.84908

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCSCCSC(=N)N.Cl

Isomeric SMILES

C1=CC=C(C=C1)CCSCCSC(=N)N.Cl

InChI

InChI=1S/C11H16N2S2.ClH/c12-11(13)15-9-8-14-7-6-10-4-2-1-3-5-10;/h1-5H,6-9H2,(H3,12,13);1H