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

Systemtic Name: N-[[3,5-bis(trifluoromethyl)phenyl]carbamothioyl]-4-morpholin-4-yl-3-nitro-benzamide Openeye Name: N-[[3,5-bis(trifluoromethyl)phenyl]carbamothioyl]-4-morpholino-3-nitro-benzamide CAS Name: N-[[3,5-bis(trifluoromethyl)anilino]-sulfanylidenemethyl]-4-(4-morpholinyl)-3-nitrobenzamide IUPAC Name: N-[[3,5-bis(trifluoromethyl)phenyl]carbamothioyl]-4-morpholin-4-yl-3-nitrobenzamide Traditional Name: N-[[3,5-bis(trifluoromethyl)phenyl]thiocarbamoyl]-4-morpholino-3-nitro-benzamide Formula: C20H16F6N4O4S MolecularWeight: 522.420859

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H16F6N4O4S/c21-19(22,23)12-8-13(20(24,25)26)10-14(9-12)27-18(35)28-17(31)11-1-2-15(16(7-11)30(32)33)29-3-5-34-6-4-29/h1-2,7-10H,3-6H2,(H2,27,28,31,35)