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

Systemtic Name: (3-bromanyl-4-propoxy-phenyl)methyl carbamimidothioate hydrochloride Openeye Name: 2-[(3-bromo-4-propoxy-phenyl)methyl]isothiourea hydrochloride CAS Name: carbamimidothioic acid (3-bromo-4-propoxyphenyl)methyl ester hydrochloride IUPAC Name: (3-bromo-4-propoxyphenyl)methyl carbamimidothioate hydrochloride Traditional Name: 2-(3-bromo-4-propoxy-benzyl)isothiourea hydrochloride Formula: C11H16BrClN2OS MolecularWeight: 339.67954

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1)CSC(=N)N)Br.Cl

Isomeric SMILES

CCCOC1=C(C=C(C=C1)CSC(=N)N)Br.Cl

InChI

InChI=1S/C11H15BrN2OS.ClH/c1-2-5-15-10-4-3-8(6-9(10)12)7-16-11(13)14;/h3-4,6H,2,5,7H2,1H3,(H3,13,14);1H