(2R)-2-(2,4-dimethoxyphenyl)-N-[(4-fluorophenyl)methyl]pyrrolidine-1-carbothioamide

Systemtic Name: (2R)-2-(2,4-dimethoxyphenyl)-N-[(4-fluorophenyl)methyl]pyrrolidine-1-carbothioamide Openeye Name: (2R)-2-(2,4-dimethoxyphenyl)-N-[(4-fluorophenyl)methyl]pyrrolidine-1-carbothioamide CAS Name: (2R)-2-(2,4-dimethoxyphenyl)-N-[(4-fluorophenyl)methyl]-1-pyrrolidinecarbothioamide IUPAC Name: (2R)-2-(2,4-dimethoxyphenyl)-N-[(4-fluorophenyl)methyl]pyrrolidine-1-carbothioamide Traditional Name: (2R)-2-(2,4-dimethoxyphenyl)-N-(4-fluorobenzyl)pyrrolidine-1-carbothioamide Formula: C20H23FN2O2S MolecularWeight: 374.472223

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)C2CCCN2C(=S)NCC3=CC=C(C=C3)F)OC

Isomeric SMILES

COC1=CC(=C(C=C1)[C@H]2CCCN2C(=S)NCC3=CC=C(C=C3)F)OC

InChI

InChI=1S/C20H23FN2O2S/c1-24-16-9-10-17(19(12-16)25-2)18-4-3-11-23(18)20(26)22-13-14-5-7-15(21)8-6-14/h5-10,12,18H,3-4,11,13H2,1-2H3,(H,22,26)/t18-/m1/s1