5-bromanyl-N-[[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]carbamothioyl]pyridine-3-carboxamide

Systemtic Name: 5-bromanyl-N-[[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]carbamothioyl]pyridine-3-carboxamide Openeye Name: 5-bromo-N-[[2-morpholino-5-(trifluoromethyl)phenyl]carbamothioyl]pyridine-3-carboxamide CAS Name: 5-bromo-N-[[2-(4-morpholinyl)-5-(trifluoromethyl)anilino]-sulfanylidenemethyl]-3-pyridinecarboxamide IUPAC Name: 5-bromo-N-[[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]carbamothioyl]pyridine-3-carboxamide Traditional Name: 5-bromo-N-[[2-morpholino-5-(trifluoromethyl)phenyl]thiocarbamoyl]nicotinamide Formula: C18H16BrF3N4O2S MolecularWeight: 489.30945

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=C(C=C(C=C2)C(F)(F)F)NC(=S)NC(=O)C3=CC(=CN=C3)Br

Isomeric SMILES

C1COCCN1C2=C(C=C(C=C2)C(F)(F)F)NC(=S)NC(=O)C3=CC(=CN=C3)Br

InChI

InChI=1S/C18H16BrF3N4O2S/c19-13-7-11(9-23-10-13)16(27)25-17(29)24-14-8-12(18(20,21)22)1-2-15(14)26-3-5-28-6-4-26/h1-2,7-10H,3-6H2,(H2,24,25,27,29)