(2,4,5-trimethoxyphenyl)methyl carbamimidothioate hydrochloride

Systemtic Name: (2,4,5-trimethoxyphenyl)methyl carbamimidothioate hydrochloride Openeye Name: 2-[(2,4,5-trimethoxyphenyl)methyl]isothiourea hydrochloride CAS Name: carbamimidothioic acid (2,4,5-trimethoxyphenyl)methyl ester hydrochloride IUPAC Name: (2,4,5-trimethoxyphenyl)methyl carbamimidothioate hydrochloride Traditional Name: 2-(2,4,5-trimethoxybenzyl)isothiourea hydrochloride Formula: C11H17ClN2O3S MolecularWeight: 292.78228

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1CSC(=N)N)OC)OC.Cl

Isomeric SMILES

COC1=CC(=C(C=C1CSC(=N)N)OC)OC.Cl

InChI

InChI=1S/C11H16N2O3S.ClH/c1-14-8-5-10(16-3)9(15-2)4-7(8)6-17-11(12)13;/h4-5H,6H2,1-3H3,(H3,12,13);1H