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

Systemtic Name: N-[[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]carbamothioyl]-3,5-dinitro-benzamide Openeye Name: N-[[2-morpholino-5-(trifluoromethyl)phenyl]carbamothioyl]-3,5-dinitro-benzamide CAS Name: N-[[2-(4-morpholinyl)-5-(trifluoromethyl)anilino]-sulfanylidenemethyl]-3,5-dinitrobenzamide IUPAC Name: N-[[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]carbamothioyl]-3,5-dinitrobenzamide Traditional Name: N-[[2-morpholino-5-(trifluoromethyl)phenyl]thiocarbamoyl]-3,5-dinitro-benzamide Formula: C19H16F3N5O6S MolecularWeight: 499.42045

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H16F3N5O6S/c20-19(21,22)12-1-2-16(25-3-5-33-6-4-25)15(9-12)23-18(34)24-17(28)11-7-13(26(29)30)10-14(8-11)27(31)32/h1-2,7-10H,3-6H2,(H2,23,24,28,34)