4-ethoxy-N-[[4-iodanyl-2-(trifluoromethyl)phenyl]carbamothioyl]-3-nitro-benzamide

Systemtic Name: 4-ethoxy-N-[[4-iodanyl-2-(trifluoromethyl)phenyl]carbamothioyl]-3-nitro-benzamide Openeye Name: 4-ethoxy-N-[[4-iodo-2-(trifluoromethyl)phenyl]carbamothioyl]-3-nitro-benzamide CAS Name: 4-ethoxy-N-[[4-iodo-2-(trifluoromethyl)anilino]-sulfanylidenemethyl]-3-nitrobenzamide IUPAC Name: 4-ethoxy-N-[[4-iodo-2-(trifluoromethyl)phenyl]carbamothioyl]-3-nitrobenzamide Traditional Name: 4-ethoxy-N-[[4-iodo-2-(trifluoromethyl)phenyl]thiocarbamoyl]-3-nitro-benzamide Formula: C17H13F3IN3O4S MolecularWeight: 539.2675

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(=O)NC(=S)NC2=C(C=C(C=C2)I)C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(=O)NC(=S)NC2=C(C=C(C=C2)I)C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C17H13F3IN3O4S/c1-2-28-14-6-3-9(7-13(14)24(26)27)15(25)23-16(29)22-12-5-4-10(21)8-11(12)17(18,19)20/h3-8H,2H2,1H3,(H2,22,23,25,29)