(3-bromanyl-4-ethoxy-phenyl)methyl carbamimidothioate hydrochloride

Systemtic Name: (3-bromanyl-4-ethoxy-phenyl)methyl carbamimidothioate hydrochloride Openeye Name: 2-[(3-bromo-4-ethoxy-phenyl)methyl]isothiourea hydrochloride CAS Name: carbamimidothioic acid (3-bromo-4-ethoxyphenyl)methyl ester hydrochloride IUPAC Name: (3-bromo-4-ethoxyphenyl)methyl carbamimidothioate hydrochloride Traditional Name: 2-(3-bromo-4-ethoxy-benzyl)isothiourea hydrochloride Formula: C10H14BrClN2OS MolecularWeight: 325.65296

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)CSC(=N)N)Br.Cl

Isomeric SMILES

CCOC1=C(C=C(C=C1)CSC(=N)N)Br.Cl

InChI

InChI=1S/C10H13BrN2OS.ClH/c1-2-14-9-4-3-7(5-8(9)11)6-15-10(12)13;/h3-5H,2,6H2,1H3,(H3,12,13);1H