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

Systemtic Name: N-[[4-iodanyl-2-(trifluoromethyl)phenyl]carbamothioyl]-2-morpholin-4-yl-5-nitro-benzamide Openeye Name: N-[[4-iodo-2-(trifluoromethyl)phenyl]carbamothioyl]-2-morpholino-5-nitro-benzamide CAS Name: N-[[4-iodo-2-(trifluoromethyl)anilino]-sulfanylidenemethyl]-2-(4-morpholinyl)-5-nitrobenzamide IUPAC Name: N-[[4-iodo-2-(trifluoromethyl)phenyl]carbamothioyl]-2-morpholin-4-yl-5-nitrobenzamide Traditional Name: N-[[4-iodo-2-(trifluoromethyl)phenyl]thiocarbamoyl]-2-morpholino-5-nitro-benzamide Formula: C19H16F3IN4O4S MolecularWeight: 580.31942

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H16F3IN4O4S/c20-19(21,22)14-9-11(23)1-3-15(14)24-18(32)25-17(28)13-10-12(27(29)30)2-4-16(13)26-5-7-31-8-6-26/h1-4,9-10H,5-8H2,(H2,24,25,28,32)