(4-butoxy-3-chloranyl-phenyl)methyl carbamimidothioate hydrochloride

Systemtic Name: (4-butoxy-3-chloranyl-phenyl)methyl carbamimidothioate hydrochloride Openeye Name: 2-[(4-butoxy-3-chloro-phenyl)methyl]isothiourea hydrochloride CAS Name: carbamimidothioic acid (4-butoxy-3-chlorophenyl)methyl ester hydrochloride IUPAC Name: (4-butoxy-3-chlorophenyl)methyl carbamimidothioate hydrochloride Traditional Name: 2-(4-butoxy-3-chloro-benzyl)isothiourea hydrochloride Formula: C12H18Cl2N2OS MolecularWeight: 309.25512

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=C(C=C1)CSC(=N)N)Cl.Cl

Isomeric SMILES

CCCCOC1=C(C=C(C=C1)CSC(=N)N)Cl.Cl

InChI

InChI=1S/C12H17ClN2OS.ClH/c1-2-3-6-16-11-5-4-9(7-10(11)13)8-17-12(14)15;/h4-5,7H,2-3,6,8H2,1H3,(H3,14,15);1H