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

Systemtic Name: 4-ethoxy-N-[[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]carbamothioyl]-3-nitro-benzamide Openeye Name: 4-ethoxy-N-[[2-morpholino-5-(trifluoromethyl)phenyl]carbamothioyl]-3-nitro-benzamide CAS Name: 4-ethoxy-N-[[2-(4-morpholinyl)-5-(trifluoromethyl)anilino]-sulfanylidenemethyl]-3-nitrobenzamide IUPAC Name: 4-ethoxy-N-[[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]carbamothioyl]-3-nitrobenzamide Traditional Name: 4-ethoxy-N-[[2-morpholino-5-(trifluoromethyl)phenyl]thiocarbamoyl]-3-nitro-benzamide Formula: C21H21F3N4O5S MolecularWeight: 498.47545

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(=O)NC(=S)NC2=C(C=CC(=C2)C(F)(F)F)N3CCOCC3)[N+](=O)[O-]

Isomeric SMILES

CCOC1=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/C21H21F3N4O5S/c1-2-33-18-6-3-13(11-17(18)28(30)31)19(29)26-20(34)25-15-12-14(21(22,23)24)4-5-16(15)27-7-9-32-10-8-27/h3-6,11-12H,2,7-10H2,1H3,(H2,25,26,29,34)