4-methoxy-N-[[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]carbamothioyl]-3-nitro-benzamide

Systemtic Name: 4-methoxy-N-[[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]carbamothioyl]-3-nitro-benzamide Openeye Name: 4-methoxy-N-[[2-morpholino-5-(trifluoromethyl)phenyl]carbamothioyl]-3-nitro-benzamide CAS Name: 4-methoxy-N-[[2-(4-morpholinyl)-5-(trifluoromethyl)anilino]-sulfanylidenemethyl]-3-nitrobenzamide IUPAC Name: 4-methoxy-N-[[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]carbamothioyl]-3-nitrobenzamide Traditional Name: 4-methoxy-N-[[2-morpholino-5-(trifluoromethyl)phenyl]thiocarbamoyl]-3-nitro-benzamide Formula: C20H19F3N4O5S MolecularWeight: 484.44887

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)NC(=S)NC2=C(C=CC(=C2)C(F)(F)F)N3CCOCC3)[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)NC(=S)NC2=C(C=CC(=C2)C(F)(F)F)N3CCOCC3)[N+](=O)[O-]

InChI

InChI=1S/C20H19F3N4O5S/c1-31-17-5-2-12(10-16(17)27(29)30)18(28)25-19(33)24-14-11-13(20(21,22)23)3-4-15(14)26-6-8-32-9-7-26/h2-5,10-11H,6-9H2,1H3,(H2,24,25,28,33)