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

Systemtic Name: (3-chloranyl-4-hexoxy-phenyl)methyl carbamimidothioate hydrochloride Openeye Name: 2-[(3-chloro-4-hexoxy-phenyl)methyl]isothiourea hydrochloride CAS Name: carbamimidothioic acid (3-chloro-4-hexoxyphenyl)methyl ester hydrochloride IUPAC Name: (3-chloro-4-hexoxyphenyl)methyl carbamimidothioate hydrochloride Traditional Name: 2-(3-chloro-4-hexoxy-benzyl)isothiourea hydrochloride Formula: C14H22Cl2N2OS MolecularWeight: 337.30828

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=C(C=C(C=C1)CSC(=N)N)Cl.Cl

Isomeric SMILES

CCCCCCOC1=C(C=C(C=C1)CSC(=N)N)Cl.Cl

InChI

InChI=1S/C14H21ClN2OS.ClH/c1-2-3-4-5-8-18-13-7-6-11(9-12(13)15)10-19-14(16)17;/h6-7,9H,2-5,8,10H2,1H3,(H3,16,17);1H