(5-bromanyl-2-pentoxy-phenyl)methyl carbamimidothioate hydrochloride

Systemtic Name: (5-bromanyl-2-pentoxy-phenyl)methyl carbamimidothioate hydrochloride Openeye Name: 2-[(5-bromo-2-pentoxy-phenyl)methyl]isothiourea hydrochloride CAS Name: carbamimidothioic acid (5-bromo-2-pentoxyphenyl)methyl ester hydrochloride IUPAC Name: (5-bromo-2-pentoxyphenyl)methyl carbamimidothioate hydrochloride Traditional Name: 2-(2-amoxy-5-bromo-benzyl)isothiourea hydrochloride Formula: C13H20BrClN2OS MolecularWeight: 367.7327

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=C(C=C(C=C1)Br)CSC(=N)N.Cl

Isomeric SMILES

CCCCCOC1=C(C=C(C=C1)Br)CSC(=N)N.Cl

InChI

InChI=1S/C13H19BrN2OS.ClH/c1-2-3-4-7-17-12-6-5-11(14)8-10(12)9-18-13(15)16;/h5-6,8H,2-4,7,9H2,1H3,(H3,15,16);1H