2-bromanyl-N-[[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]carbamothioyl]-5-nitro-benzamide

Systemtic Name: 2-bromanyl-N-[[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]carbamothioyl]-5-nitro-benzamide Openeye Name: 2-bromo-N-[[2-morpholino-5-(trifluoromethyl)phenyl]carbamothioyl]-5-nitro-benzamide CAS Name: 2-bromo-N-[[2-(4-morpholinyl)-5-(trifluoromethyl)anilino]-sulfanylidenemethyl]-5-nitrobenzamide IUPAC Name: 2-bromo-N-[[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]carbamothioyl]-5-nitrobenzamide Traditional Name: 2-bromo-N-[[2-morpholino-5-(trifluoromethyl)phenyl]thiocarbamoyl]-5-nitro-benzamide Formula: C19H16BrF3N4O4S MolecularWeight: 533.31895

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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=C(C=CC(=C3)[N+](=O)[O-])Br

Isomeric SMILES

C1COCCN1C2=C(C=C(C=C2)C(F)(F)F)NC(=S)NC(=O)C3=C(C=CC(=C3)[N+](=O)[O-])Br

InChI

InChI=1S/C19H16BrF3N4O4S/c20-14-3-2-12(27(29)30)10-13(14)17(28)25-18(32)24-15-9-11(19(21,22)23)1-4-16(15)26-5-7-31-8-6-26/h1-4,9-10H,5-8H2,(H2,24,25,28,32)