(3-fluoranyl-4-methoxy-phenyl)methyl N,N'-diethylcarbamimidothioate hydrochloride

Systemtic Name: (3-fluoranyl-4-methoxy-phenyl)methyl N,N'-diethylcarbamimidothioate hydrochloride Openeye Name: 1,3-diethyl-2-[(3-fluoro-4-methoxy-phenyl)methyl]isothiourea hydrochloride CAS Name: N,N'-diethylcarbamimidothioic acid (3-fluoro-4-methoxyphenyl)methyl ester hydrochloride IUPAC Name: (3-fluoro-4-methoxyphenyl)methyl N,N'-diethylcarbamimidothioate hydrochloride Traditional Name: 1,3-diethyl-2-(3-fluoro-4-methoxy-benzyl)isothiourea hydrochloride Formula: C13H20ClFN2OS MolecularWeight: 306.827103

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=NCC)SCC1=CC(=C(C=C1)OC)F.Cl

Isomeric SMILES

CCNC(=NCC)SCC1=CC(=C(C=C1)OC)F.Cl

InChI

InChI=1S/C13H19FN2OS.ClH/c1-4-15-13(16-5-2)18-9-10-6-7-12(17-3)11(14)8-10;/h6-8H,4-5,9H2,1-3H3,(H,15,16);1H