4-(2-morpholin-4-yl-2-oxidanylidene-ethyl)sulfanyl-3-nitro-N-[2-(trifluoromethyl)phenyl]benzamide

Systemtic Name: 4-(2-morpholin-4-yl-2-oxidanylidene-ethyl)sulfanyl-3-nitro-N-[2-(trifluoromethyl)phenyl]benzamide Openeye Name: 4-(2-morpholino-2-oxo-ethyl)sulfanyl-3-nitro-N-[2-(trifluoromethyl)phenyl]benzamide CAS Name: 4-[[2-(4-morpholinyl)-2-oxoethyl]thio]-3-nitro-N-[2-(trifluoromethyl)phenyl]benzamide IUPAC Name: 4-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-3-nitro-N-[2-(trifluoromethyl)phenyl]benzamide Traditional Name: 4-[(2-keto-2-morpholino-ethyl)thio]-3-nitro-N-[2-(trifluoromethyl)phenyl]benzamide Formula: C20H18F3N3O5S MolecularWeight: 469.43423

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C(=O)CSC2=C(C=C(C=C2)C(=O)NC3=CC=CC=C3C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

C1COCCN1C(=O)CSC2=C(C=C(C=C2)C(=O)NC3=CC=CC=C3C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C20H18F3N3O5S/c21-20(22,23)14-3-1-2-4-15(14)24-19(28)13-5-6-17(16(11-13)26(29)30)32-12-18(27)25-7-9-31-10-8-25/h1-6,11H,7-10,12H2,(H,24,28)