(3-fluoranyl-4-methoxy-phenyl)methyl N'-(furan-2-ylmethyl)carbamimidothioate hydrochloride

Systemtic Name: (3-fluoranyl-4-methoxy-phenyl)methyl N'-(furan-2-ylmethyl)carbamimidothioate hydrochloride Openeye Name: 2-[(3-fluoro-4-methoxy-phenyl)methyl]-3-(2-furylmethyl)isothiourea hydrochloride CAS Name: N'-(2-furanylmethyl)carbamimidothioic acid (3-fluoro-4-methoxyphenyl)methyl ester hydrochloride IUPAC Name: (3-fluoro-4-methoxyphenyl)methyl N'-(furan-2-ylmethyl)carbamimidothioate hydrochloride Traditional Name: 2-(3-fluoro-4-methoxy-benzyl)-3-(2-furfuryl)isothiourea hydrochloride Formula: C14H16ClFN2O2S MolecularWeight: 330.805443

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CSC(=NCC2=CC=CO2)N)F.Cl

Isomeric SMILES

COC1=C(C=C(C=C1)CSC(=NCC2=CC=CO2)N)F.Cl

InChI

InChI=1S/C14H15FN2O2S.ClH/c1-18-13-5-4-10(7-12(13)15)9-20-14(16)17-8-11-3-2-6-19-11;/h2-7H,8-9H2,1H3,(H2,16,17);1H