methyl N'-[3-(4-fluorophenyl)-3-oxidanyl-3-pyridin-2-yl-propyl]carbamimidothioate

Systemtic Name: methyl N'-[3-(4-fluorophenyl)-3-oxidanyl-3-pyridin-2-yl-propyl]carbamimidothioate Openeye Name: 3-[3-(4-fluorophenyl)-3-hydroxy-3-(2-pyridyl)propyl]-2-methyl-isothiourea CAS Name: N'-[3-(4-fluorophenyl)-3-hydroxy-3-(2-pyridinyl)propyl]carbamimidothioic acid methyl ester IUPAC Name: methyl N'-[3-(4-fluorophenyl)-3-hydroxy-3-pyridin-2-ylpropyl]carbamimidothioate Traditional Name: 3-[3-(4-fluorophenyl)-3-hydroxy-3-(2-pyridyl)propyl]-2-methyl-isothiourea Formula: C16H18FN3OS MolecularWeight: 319.397023

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Descriptors Computed from Structure

Canonical SMILES:

CSC(=NCCC(C1=CC=C(C=C1)F)(C2=CC=CC=N2)O)N

Isomeric SMILES

CSC(=NCCC(C1=CC=C(C=C1)F)(C2=CC=CC=N2)O)N

InChI

InChI=1S/C16H18FN3OS/c1-22-15(18)20-11-9-16(21,14-4-2-3-10-19-14)12-5-7-13(17)8-6-12/h2-8,10,21H,9,11H2,1H3,(H2,18,20)