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

Systemtic Name: N-[[4-chloranyl-2-(trifluoromethyl)phenyl]carbamothioyl]-4-morpholin-4-yl-3-nitro-benzamide Openeye Name: N-[[4-chloro-2-(trifluoromethyl)phenyl]carbamothioyl]-4-morpholino-3-nitro-benzamide CAS Name: N-[[4-chloro-2-(trifluoromethyl)anilino]-sulfanylidenemethyl]-4-(4-morpholinyl)-3-nitrobenzamide IUPAC Name: N-[[4-chloro-2-(trifluoromethyl)phenyl]carbamothioyl]-4-morpholin-4-yl-3-nitrobenzamide Traditional Name: N-[[4-chloro-2-(trifluoromethyl)phenyl]thiocarbamoyl]-4-morpholino-3-nitro-benzamide Formula: C19H16ClF3N4O4S MolecularWeight: 488.86795

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H16ClF3N4O4S/c20-12-2-3-14(13(10-12)19(21,22)23)24-18(32)25-17(28)11-1-4-15(16(9-11)27(29)30)26-5-7-31-8-6-26/h1-4,9-10H,5-8H2,(H2,24,25,28,32)