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

Systemtic Name: [(2S)-6-fluoranyl-2-phenyl-4H-1,3-benzodioxin-8-yl]methyl N'-propylcarbamimidothioate Openeye Name: 2-[[(2S)-6-fluoro-2-phenyl-4H-1,3-benzodioxin-8-yl]methyl]-3-propyl-isothiourea CAS Name: N'-propylcarbamimidothioic 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'-propylcarbamimidothioate Traditional Name: 2-[[(2S)-6-fluoro-2-phenyl-4H-1,3-benzodioxin-8-yl]methyl]-3-propyl-isothiourea Formula: C19H21FN2O2S MolecularWeight: 360.445643

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H21FN2O2S/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/h3-7,9-10,18H,2,8,11-12H2,1H3,(H2,21,22)/t18-/m0/s1