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

Systemtic Name: 3-iodanyl-N-[[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]carbamothioyl]benzamide Openeye Name: 3-iodo-N-[[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]carbamothioyl]benzamide CAS Name: 3-iodo-N-[[2-(1-pyrrolidinyl)-5-(trifluoromethyl)anilino]-sulfanylidenemethyl]benzamide IUPAC Name: 3-iodo-N-[[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]carbamothioyl]benzamide Traditional Name: 3-iodo-N-[[2-pyrrolidino-5-(trifluoromethyl)phenyl]thiocarbamoyl]benzamide Formula: C19H17F3IN3OS MolecularWeight: 519.32246

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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)I

Isomeric SMILES

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

InChI

InChI=1S/C19H17F3IN3OS/c20-19(21,22)13-6-7-16(26-8-1-2-9-26)15(11-13)24-18(28)25-17(27)12-4-3-5-14(23)10-12/h3-7,10-11H,1-2,8-9H2,(H2,24,25,27,28)