(2R)-2-(2,5-dimethoxyphenyl)-N-(3-fluoranyl-4-methyl-phenyl)pyrrolidine-1-carbothioamide

Systemtic Name: (2R)-2-(2,5-dimethoxyphenyl)-N-(3-fluoranyl-4-methyl-phenyl)pyrrolidine-1-carbothioamide Openeye Name: (2R)-2-(2,5-dimethoxyphenyl)-N-(3-fluoro-4-methyl-phenyl)pyrrolidine-1-carbothioamide CAS Name: (2R)-2-(2,5-dimethoxyphenyl)-N-(3-fluoro-4-methylphenyl)-1-pyrrolidinecarbothioamide IUPAC Name: (2R)-2-(2,5-dimethoxyphenyl)-N-(3-fluoro-4-methylphenyl)pyrrolidine-1-carbothioamide Traditional Name: (2R)-2-(2,5-dimethoxyphenyl)-N-(3-fluoro-4-methyl-phenyl)pyrrolidine-1-carbothioamide Formula: C20H23FN2O2S MolecularWeight: 374.472223

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=S)N2CCCC2C3=C(C=CC(=C3)OC)OC)F

Isomeric SMILES

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

InChI

InChI=1S/C20H23FN2O2S/c1-13-6-7-14(11-17(13)21)22-20(26)23-10-4-5-18(23)16-12-15(24-2)8-9-19(16)25-3/h6-9,11-12,18H,4-5,10H2,1-3H3,(H,22,26)/t18-/m1/s1