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

Systemtic Name: 2-(3-methylphenoxy)-N-[[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]carbamothioyl]ethanamide Openeye Name: 2-(3-methylphenoxy)-N-[[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]carbamothioyl]acetamide CAS Name: 2-(3-methylphenoxy)-N-[[2-(1-pyrrolidinyl)-5-(trifluoromethyl)anilino]-sulfanylidenemethyl]acetamide IUPAC Name: 2-(3-methylphenoxy)-N-[[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]carbamothioyl]acetamide Traditional Name: 2-(3-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=C1)OCC(=O)NC(=S)NC2=C(C=CC(=C2)C(F)(F)F)N3CCCC3

Isomeric SMILES

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

InChI

InChI=1S/C21H22F3N3O2S/c1-14-5-4-6-16(11-14)29-13-19(28)26-20(30)25-17-12-15(21(22,23)24)7-8-18(17)27-9-2-3-10-27/h4-8,11-12H,2-3,9-10,13H2,1H3,(H2,25,26,28,30)