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

Systemtic Name: [(2S)-6-fluoranyl-2-phenyl-4H-1,3-benzodioxin-8-yl]methyl N,N'-diethylcarbamimidothioate Openeye Name: 1,3-diethyl-2-[[(2S)-6-fluoro-2-phenyl-4H-1,3-benzodioxin-8-yl]methyl]isothiourea CAS Name: N,N'-diethylcarbamimidothioic 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,N'-diethylcarbamimidothioate Traditional Name: 1,3-diethyl-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:

CCNC(=NCC)SCC1=C2C(=CC(=C1)F)COC(O2)C3=CC=CC=C3

Isomeric SMILES

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

InChI

InChI=1S/C20H23FN2O2S/c1-3-22-20(23-4-2)26-13-16-11-17(21)10-15-12-24-19(25-18(15)16)14-8-6-5-7-9-14/h5-11,19H,3-4,12-13H2,1-2H3,(H,22,23)/t19-/m0/s1