3-bromanyl-4-ethoxy-N-[[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]carbamothioyl]benzamide

Systemtic Name: 3-bromanyl-4-ethoxy-N-[[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]carbamothioyl]benzamide Openeye Name: 3-bromo-4-ethoxy-N-[[2-(1-piperidyl)-5-(trifluoromethyl)phenyl]carbamothioyl]benzamide CAS Name: 3-bromo-4-ethoxy-N-[[2-(1-piperidinyl)-5-(trifluoromethyl)anilino]-sulfanylidenemethyl]benzamide IUPAC Name: 3-bromo-4-ethoxy-N-[[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]carbamothioyl]benzamide Traditional Name: 3-bromo-4-ethoxy-N-[[2-piperidino-5-(trifluoromethyl)phenyl]thiocarbamoyl]benzamide Formula: C22H23BrF3N3O2S MolecularWeight: 530.40113

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(=O)NC(=S)NC2=C(C=CC(=C2)C(F)(F)F)N3CCCCC3)Br

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(=O)NC(=S)NC2=C(C=CC(=C2)C(F)(F)F)N3CCCCC3)Br

InChI

InChI=1S/C22H23BrF3N3O2S/c1-2-31-19-9-6-14(12-16(19)23)20(30)28-21(32)27-17-13-15(22(24,25)26)7-8-18(17)29-10-4-3-5-11-29/h6-9,12-13H,2-5,10-11H2,1H3,(H2,27,28,30,32)