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

Systemtic Name: 2-(2-methylphenoxy)-N-[[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]carbamothioyl]ethanamide Openeye Name: 2-(2-methylphenoxy)-N-[[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]carbamothioyl]acetamide CAS Name: 2-(2-methylphenoxy)-N-[[2-(1-pyrrolidinyl)-5-(trifluoromethyl)anilino]-sulfanylidenemethyl]acetamide IUPAC Name: 2-(2-methylphenoxy)-N-[[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]carbamothioyl]acetamide Traditional Name: 2-(2-methylphenoxy)-N-[[2-pyrrolidino-5-(trifluoromethyl)phenyl]thiocarbamoyl]acetamide Formula: C21H22F3N3O2S MolecularWeight: 437.47849

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1OCC(=O)NC(=S)NC2=C(C=CC(=C2)C(F)(F)F)N3CCCC3

Isomeric SMILES

CC1=CC=CC=C1OCC(=O)NC(=S)NC2=C(C=CC(=C2)C(F)(F)F)N3CCCC3

InChI

InChI=1S/C21H22F3N3O2S/c1-14-6-2-3-7-18(14)29-13-19(28)26-20(30)25-16-12-15(21(22,23)24)8-9-17(16)27-10-4-5-11-27/h2-3,6-9,12H,4-5,10-11,13H2,1H3,(H2,25,26,28,30)