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

Systemtic Name: 2-morpholin-4-yl-5-nitro-N-[[3-(trifluoromethyl)phenyl]carbamothioyl]benzamide Openeye Name: 2-morpholino-5-nitro-N-[[3-(trifluoromethyl)phenyl]carbamothioyl]benzamide CAS Name: 2-(4-morpholinyl)-5-nitro-N-[sulfanylidene-[3-(trifluoromethyl)anilino]methyl]benzamide IUPAC Name: 2-morpholin-4-yl-5-nitro-N-[[3-(trifluoromethyl)phenyl]carbamothioyl]benzamide Traditional Name: 2-morpholino-5-nitro-N-[[3-(trifluoromethyl)phenyl]thiocarbamoyl]benzamide Formula: C19H17F3N4O4S MolecularWeight: 454.42289

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H17F3N4O4S/c20-19(21,22)12-2-1-3-13(10-12)23-18(31)24-17(27)15-11-14(26(28)29)4-5-16(15)25-6-8-30-9-7-25/h1-5,10-11H,6-9H2,(H2,23,24,27,31)