(2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(3-fluoranyl-4-methyl-phenyl)pyrrolidine-1-carbothioamide

Systemtic Name: (2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(3-fluoranyl-4-methyl-phenyl)pyrrolidine-1-carbothioamide Openeye Name: (2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(3-fluoro-4-methyl-phenyl)pyrrolidine-1-carbothioamide CAS Name: (2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(3-fluoro-4-methylphenyl)-1-pyrrolidinecarbothioamide IUPAC Name: (2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(3-fluoro-4-methylphenyl)pyrrolidine-1-carbothioamide Traditional Name: (2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(3-fluoro-4-methyl-phenyl)pyrrolidine-1-carbothioamide Formula: C20H21FN2O2S MolecularWeight: 372.456343

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=S)N2CCCC2C3=CC4=C(C=C3)OCCO4)F

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=S)N2CCC[C@@H]2C3=CC4=C(C=C3)OCCO4)F

InChI

InChI=1S/C20H21FN2O2S/c1-13-4-6-15(12-16(13)21)22-20(26)23-8-2-3-17(23)14-5-7-18-19(11-14)25-10-9-24-18/h4-7,11-12,17H,2-3,8-10H2,1H3,(H,22,26)/t17-/m1/s1