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

Systemtic Name: [(2S)-6-fluoranyl-2-phenyl-4H-1,3-benzodioxin-8-yl]methyl N'-tert-butylcarbamimidothioate Openeye Name: 3-tert-butyl-2-[[(2S)-6-fluoro-2-phenyl-4H-1,3-benzodioxin-8-yl]methyl]isothiourea CAS Name: N'-tert-butylcarbamimidothioic 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'-tert-butylcarbamimidothioate Traditional Name: 3-tert-butyl-2-[[(2S)-6-fluoro-2-phenyl-4H-1,3-benzodioxin-8-yl]methyl]isothiourea Formula: C20H23FN2O2S MolecularWeight: 374.472223

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)N=C(N)SCC1=C2C(=CC(=C1)F)COC(O2)C3=CC=CC=C3

Isomeric SMILES

CC(C)(C)N=C(N)SCC1=C2C(=CC(=C1)F)CO[C@@H](O2)C3=CC=CC=C3

InChI

InChI=1S/C20H23FN2O2S/c1-20(2,3)23-19(22)26-12-15-10-16(21)9-14-11-24-18(25-17(14)15)13-7-5-4-6-8-13/h4-10,18H,11-12H2,1-3H3,(H2,22,23)/t18-/m0/s1