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

Systemtic Name: (3-bromanyl-4-methoxy-phenyl)methyl carbamimidothioate hydrochloride Openeye Name: 2-[(3-bromo-4-methoxy-phenyl)methyl]isothiourea hydrochloride CAS Name: carbamimidothioic acid (3-bromo-4-methoxyphenyl)methyl ester hydrochloride IUPAC Name: (3-bromo-4-methoxyphenyl)methyl carbamimidothioate hydrochloride Traditional Name: 2-(3-bromo-4-methoxy-benzyl)isothiourea hydrochloride Formula: C9H12BrClN2OS MolecularWeight: 311.62638

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CSC(=N)N)Br.Cl

Isomeric SMILES

COC1=C(C=C(C=C1)CSC(=N)N)Br.Cl

InChI

InChI=1S/C9H11BrN2OS.ClH/c1-13-8-3-2-6(4-7(8)10)5-14-9(11)12;/h2-4H,5H2,1H3,(H3,11,12);1H