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

Systemtic Name: [(2S)-6-fluoranyl-2-phenyl-4H-1,3-benzodioxin-8-yl]methyl N'-prop-2-enylcarbamimidothioate Openeye Name: 3-allyl-2-[[(2S)-6-fluoro-2-phenyl-4H-1,3-benzodioxin-8-yl]methyl]isothiourea CAS Name: N'-prop-2-enylcarbamimidothioic 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'-prop-2-enylcarbamimidothioate Traditional Name: 3-allyl-2-[[(2S)-6-fluoro-2-phenyl-4H-1,3-benzodioxin-8-yl]methyl]isothiourea Formula: C19H19FN2O2S MolecularWeight: 358.429763

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H19FN2O2S/c1-2-8-22-19(21)25-12-15-10-16(20)9-14-11-23-18(24-17(14)15)13-6-4-3-5-7-13/h2-7,9-10,18H,1,8,11-12H2,(H2,21,22)/t18-/m0/s1