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

Systemtic Name: 3-bromanyl-N-[[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]carbamothioyl]benzamide Openeye Name: 3-bromo-N-[[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]carbamothioyl]benzamide CAS Name: 3-bromo-N-[[2-(1-pyrrolidinyl)-5-(trifluoromethyl)anilino]-sulfanylidenemethyl]benzamide IUPAC Name: 3-bromo-N-[[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]carbamothioyl]benzamide Traditional Name: 3-bromo-N-[[2-pyrrolidino-5-(trifluoromethyl)phenyl]thiocarbamoyl]benzamide Formula: C19H17BrF3N3OS MolecularWeight: 472.32199

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=C(C=C(C=C2)C(F)(F)F)NC(=S)NC(=O)C3=CC(=CC=C3)Br

Isomeric SMILES

C1CCN(C1)C2=C(C=C(C=C2)C(F)(F)F)NC(=S)NC(=O)C3=CC(=CC=C3)Br

InChI

InChI=1S/C19H17BrF3N3OS/c20-14-5-3-4-12(10-14)17(27)25-18(28)24-15-11-13(19(21,22)23)6-7-16(15)26-8-1-2-9-26/h3-7,10-11H,1-2,8-9H2,(H2,24,25,27,28)