ethyl N'-[2-fluoranyl-5-(4-methoxypyridin-2-yl)phenyl]carbamimidothioate dihydrochloride

Systemtic Name: ethyl N'-[2-fluoranyl-5-(4-methoxypyridin-2-yl)phenyl]carbamimidothioate dihydrochloride Openeye Name: 2-ethyl-3-[2-fluoro-5-(4-methoxy-2-pyridyl)phenyl]isothiourea dihydrochloride CAS Name: N'-[2-fluoro-5-(4-methoxy-2-pyridinyl)phenyl]carbamimidothioic acid ethyl ester dihydrochloride IUPAC Name: ethyl N'-[2-fluoro-5-(4-methoxypyridin-2-yl)phenyl]carbamimidothioate dihydrochloride Traditional Name: 2-ethyl-3-[2-fluoro-5-(4-methoxy-2-pyridyl)phenyl]isothiourea dihydrochloride Formula: C15H18Cl2FN3OS MolecularWeight: 378.292323

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Descriptors Computed from Structure

Canonical SMILES:

CCSC(=NC1=C(C=CC(=C1)C2=NC=CC(=C2)OC)F)N.Cl.Cl

Isomeric SMILES

CCSC(=NC1=C(C=CC(=C1)C2=NC=CC(=C2)OC)F)N.Cl.Cl

InChI

InChI=1S/C15H16FN3OS.2ClH/c1-3-21-15(17)19-14-8-10(4-5-12(14)16)13-9-11(20-2)6-7-18-13;;/h4-9H,3H2,1-2H3,(H2,17,19);2*1H