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

Systemtic Name: [(2R)-6-fluoranyl-2-phenyl-4H-1,3-benzodioxin-8-yl]methyl N'-(3-methylphenyl)carbamimidothioate Openeye Name: 2-[[(2R)-6-fluoro-2-phenyl-4H-1,3-benzodioxin-8-yl]methyl]-3-(m-tolyl)isothiourea CAS Name: N'-(3-methylphenyl)carbamimidothioic acid [(2R)-6-fluoro-2-phenyl-4H-1,3-benzodioxin-8-yl]methyl ester IUPAC Name: [(2R)-6-fluoro-2-phenyl-4H-1,3-benzodioxin-8-yl]methyl N'-(3-methylphenyl)carbamimidothioate Traditional Name: 2-[[(2R)-6-fluoro-2-phenyl-4H-1,3-benzodioxin-8-yl]methyl]-3-(m-tolyl)isothiourea Formula: C23H21FN2O2S MolecularWeight: 408.488443

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N=C(N)SCC2=C3C(=CC(=C2)F)COC(O3)C4=CC=CC=C4

Isomeric SMILES

CC1=CC(=CC=C1)N=C(N)SCC2=C3C(=CC(=C2)F)CO[C@H](O3)C4=CC=CC=C4

InChI

InChI=1S/C23H21FN2O2S/c1-15-6-5-9-20(10-15)26-23(25)29-14-18-12-19(24)11-17-13-27-22(28-21(17)18)16-7-3-2-4-8-16/h2-12,22H,13-14H2,1H3,(H2,25,26)/t22-/m1/s1