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

Systemtic Name: 2-morpholin-4-yl-N-[[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]carbamothioyl]-5-nitro-benzamide Openeye Name: 2-morpholino-N-[[2-morpholino-5-(trifluoromethyl)phenyl]carbamothioyl]-5-nitro-benzamide CAS Name: 2-(4-morpholinyl)-N-[[2-(4-morpholinyl)-5-(trifluoromethyl)anilino]-sulfanylidenemethyl]-5-nitrobenzamide IUPAC Name: 2-morpholin-4-yl-N-[[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]carbamothioyl]-5-nitrobenzamide Traditional Name: 2-morpholino-N-[[2-morpholino-5-(trifluoromethyl)phenyl]thiocarbamoyl]-5-nitro-benzamide Formula: C23H24F3N5O5S MolecularWeight: 539.52737

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=C(C=C(C=C2)[N+](=O)[O-])C(=O)NC(=S)NC3=C(C=CC(=C3)C(F)(F)F)N4CCOCC4

Isomeric SMILES

C1COCCN1C2=C(C=C(C=C2)[N+](=O)[O-])C(=O)NC(=S)NC3=C(C=CC(=C3)C(F)(F)F)N4CCOCC4

InChI

InChI=1S/C23H24F3N5O5S/c24-23(25,26)15-1-3-20(30-7-11-36-12-8-30)18(13-15)27-22(37)28-21(32)17-14-16(31(33)34)2-4-19(17)29-5-9-35-10-6-29/h1-4,13-14H,5-12H2,(H2,27,28,32,37)