(4,5-dimethoxy-2-methyl-phenyl)methyl carbamimidothioate hydrochloride

Systemtic Name: (4,5-dimethoxy-2-methyl-phenyl)methyl carbamimidothioate hydrochloride Openeye Name: 2-[(4,5-dimethoxy-2-methyl-phenyl)methyl]isothiourea hydrochloride CAS Name: carbamimidothioic acid (4,5-dimethoxy-2-methylphenyl)methyl ester hydrochloride IUPAC Name: (4,5-dimethoxy-2-methylphenyl)methyl carbamimidothioate hydrochloride Traditional Name: 2-(4,5-dimethoxy-2-methyl-benzyl)isothiourea hydrochloride Formula: C11H17ClN2O2S MolecularWeight: 276.78288

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1CSC(=N)N)OC)OC.Cl

Isomeric SMILES

CC1=CC(=C(C=C1CSC(=N)N)OC)OC.Cl

InChI

InChI=1S/C11H16N2O2S.ClH/c1-7-4-9(14-2)10(15-3)5-8(7)6-16-11(12)13;/h4-5H,6H2,1-3H3,(H3,12,13);1H