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

Systemtic Name: N-[[3,5-bis(trifluoromethyl)phenyl]carbamothioyl]-2-morpholin-4-yl-5-nitro-benzamide Openeye Name: N-[[3,5-bis(trifluoromethyl)phenyl]carbamothioyl]-2-morpholino-5-nitro-benzamide CAS Name: N-[[3,5-bis(trifluoromethyl)anilino]-sulfanylidenemethyl]-2-(4-morpholinyl)-5-nitrobenzamide IUPAC Name: N-[[3,5-bis(trifluoromethyl)phenyl]carbamothioyl]-2-morpholin-4-yl-5-nitrobenzamide Traditional Name: N-[[3,5-bis(trifluoromethyl)phenyl]thiocarbamoyl]-2-morpholino-5-nitro-benzamide Formula: C20H16F6N4O4S MolecularWeight: 522.420859

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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)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)C(F)(F)F

InChI

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