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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)OCC(=O)NC(=S)NC2=C(C=CC(=C2)C(F)(F)F)N3CCCC3

Isomeric SMILES

CCC1=CC=C(C=C1)OCC(=O)NC(=S)NC2=C(C=CC(=C2)C(F)(F)F)N3CCCC3

InChI

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