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

Systemtic Name: [(2S)-6-fluoranyl-2-phenyl-4H-1,3-benzodioxin-8-yl]methyl N'-cyclopentylcarbamimidothioate Openeye Name: 3-cyclopentyl-2-[[(2S)-6-fluoro-2-phenyl-4H-1,3-benzodioxin-8-yl]methyl]isothiourea CAS Name: N'-cyclopentylcarbamimidothioic 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'-cyclopentylcarbamimidothioate Traditional Name: 3-cyclopentyl-2-[[(2S)-6-fluoro-2-phenyl-4H-1,3-benzodioxin-8-yl]methyl]isothiourea Formula: C21H23FN2O2S MolecularWeight: 386.482923

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)N=C(N)SCC2=C3C(=CC(=C2)F)COC(O3)C4=CC=CC=C4

Isomeric SMILES

C1CCC(C1)N=C(N)SCC2=C3C(=CC(=C2)F)CO[C@@H](O3)C4=CC=CC=C4

InChI

InChI=1S/C21H23FN2O2S/c22-17-10-15-12-25-20(14-6-2-1-3-7-14)26-19(15)16(11-17)13-27-21(23)24-18-8-4-5-9-18/h1-3,6-7,10-11,18,20H,4-5,8-9,12-13H2,(H2,23,24)/t20-/m0/s1