2-(3,4-dimethylphenoxy)-N-[[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]carbamothioyl]ethanamide

Systemtic Name: 2-(3,4-dimethylphenoxy)-N-[[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]carbamothioyl]ethanamide Openeye Name: 2-(3,4-dimethylphenoxy)-N-[[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]carbamothioyl]acetamide CAS Name: 2-(3,4-dimethylphenoxy)-N-[[2-(1-pyrrolidinyl)-5-(trifluoromethyl)anilino]-sulfanylidenemethyl]acetamide IUPAC Name: 2-(3,4-dimethylphenoxy)-N-[[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]carbamothioyl]acetamide Traditional Name: 2-(3,4-dimethylphenoxy)-N-[[2-pyrrolidino-5-(trifluoromethyl)phenyl]thiocarbamoyl]acetamide Formula: C22H24F3N3O2S MolecularWeight: 451.50507

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)OCC(=O)NC(=S)NC2=C(C=CC(=C2)C(F)(F)F)N3CCCC3)C

Isomeric SMILES

CC1=C(C=C(C=C1)OCC(=O)NC(=S)NC2=C(C=CC(=C2)C(F)(F)F)N3CCCC3)C

InChI

InChI=1S/C22H24F3N3O2S/c1-14-5-7-17(11-15(14)2)30-13-20(29)27-21(31)26-18-12-16(22(23,24)25)6-8-19(18)28-9-3-4-10-28/h5-8,11-12H,3-4,9-10,13H2,1-2H3,(H2,26,27,29,31)