2-methoxy-N-[[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]carbamothioyl]benzamide

Systemtic Name: 2-methoxy-N-[[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]carbamothioyl]benzamide Openeye Name: 2-methoxy-N-[[2-(1-piperidyl)-5-(trifluoromethyl)phenyl]carbamothioyl]benzamide CAS Name: 2-methoxy-N-[[2-(1-piperidinyl)-5-(trifluoromethyl)anilino]-sulfanylidenemethyl]benzamide IUPAC Name: 2-methoxy-N-[[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]carbamothioyl]benzamide Traditional Name: 2-methoxy-N-[[2-piperidino-5-(trifluoromethyl)phenyl]thiocarbamoyl]benzamide Formula: C21H22F3N3O2S MolecularWeight: 437.47849

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C(=O)NC(=S)NC2=C(C=CC(=C2)C(F)(F)F)N3CCCCC3

Isomeric SMILES

COC1=CC=CC=C1C(=O)NC(=S)NC2=C(C=CC(=C2)C(F)(F)F)N3CCCCC3

InChI

InChI=1S/C21H22F3N3O2S/c1-29-18-8-4-3-7-15(18)19(28)26-20(30)25-16-13-14(21(22,23)24)9-10-17(16)27-11-5-2-6-12-27/h3-4,7-10,13H,2,5-6,11-12H2,1H3,(H2,25,26,28,30)