[(2S)-6-fluoranyl-2-phenyl-4H-1,3-benzodioxin-8-yl]methyl N'-phenylcarbamimidothioate

Systemtic Name: [(2S)-6-fluoranyl-2-phenyl-4H-1,3-benzodioxin-8-yl]methyl N'-phenylcarbamimidothioate Openeye Name: 2-[[(2S)-6-fluoro-2-phenyl-4H-1,3-benzodioxin-8-yl]methyl]-3-phenyl-isothiourea CAS Name: N'-phenylcarbamimidothioic acid [(2S)-6-fluoro-2-phenyl-4H-1,3-benzodioxin-8-yl]methyl ester IUPAC Name: [(2S)-6-fluoro-2-phenyl-4H-1,3-benzodioxin-8-yl]methyl N'-phenylcarbamimidothioate Traditional Name: 2-[[(2S)-6-fluoro-2-phenyl-4H-1,3-benzodioxin-8-yl]methyl]-3-phenyl-isothiourea Formula: C22H19FN2O2S MolecularWeight: 394.461863

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=CC(=CC(=C2OC(O1)C3=CC=CC=C3)CSC(=NC4=CC=CC=C4)N)F

Isomeric SMILES

C1C2=CC(=CC(=C2O[C@H](O1)C3=CC=CC=C3)CSC(=NC4=CC=CC=C4)N)F

InChI

InChI=1S/C22H19FN2O2S/c23-18-11-16-13-26-21(15-7-3-1-4-8-15)27-20(16)17(12-18)14-28-22(24)25-19-9-5-2-6-10-19/h1-12,21H,13-14H2,(H2,24,25)/t21-/m0/s1