2-(3,4-dimethoxyphenyl)-N-[3-(trifluoromethyl)phenyl]pyrrolidine-1-carbothioamide

Systemtic Name: 2-(3,4-dimethoxyphenyl)-N-[3-(trifluoromethyl)phenyl]pyrrolidine-1-carbothioamide Openeye Name: 2-(3,4-dimethoxyphenyl)-N-[3-(trifluoromethyl)phenyl]pyrrolidine-1-carbothioamide CAS Name: 2-(3,4-dimethoxyphenyl)-N-[3-(trifluoromethyl)phenyl]-1-pyrrolidinecarbothioamide IUPAC Name: 2-(3,4-dimethoxyphenyl)-N-[3-(trifluoromethyl)phenyl]pyrrolidine-1-carbothioamide Traditional Name: 2-(3,4-dimethoxyphenyl)-N-[3-(trifluoromethyl)phenyl]pyrrolidine-1-carbothioamide Formula: C20H21F3N2O2S MolecularWeight: 410.45315

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2CCCN2C(=S)NC3=CC=CC(=C3)C(F)(F)F)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2CCCN2C(=S)NC3=CC=CC(=C3)C(F)(F)F)OC

InChI

InChI=1S/C20H21F3N2O2S/c1-26-17-9-8-13(11-18(17)27-2)16-7-4-10-25(16)19(28)24-15-6-3-5-14(12-15)20(21,22)23/h3,5-6,8-9,11-12,16H,4,7,10H2,1-2H3,(H,24,28)