3-bromanyl-N-[[4-iodanyl-2-(trifluoromethyl)phenyl]carbamothioyl]-4-methoxy-benzamide

Systemtic Name: 3-bromanyl-N-[[4-iodanyl-2-(trifluoromethyl)phenyl]carbamothioyl]-4-methoxy-benzamide Openeye Name: 3-bromo-N-[[4-iodo-2-(trifluoromethyl)phenyl]carbamothioyl]-4-methoxy-benzamide CAS Name: 3-bromo-N-[[4-iodo-2-(trifluoromethyl)anilino]-sulfanylidenemethyl]-4-methoxybenzamide IUPAC Name: 3-bromo-N-[[4-iodo-2-(trifluoromethyl)phenyl]carbamothioyl]-4-methoxybenzamide Traditional Name: 3-bromo-N-[[4-iodo-2-(trifluoromethyl)phenyl]thiocarbamoyl]-4-methoxy-benzamide Formula: C16H11BrF3IN2O2S MolecularWeight: 559.13942

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)NC(=S)NC2=C(C=C(C=C2)I)C(F)(F)F)Br

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)NC(=S)NC2=C(C=C(C=C2)I)C(F)(F)F)Br

InChI

InChI=1S/C16H11BrF3IN2O2S/c1-25-13-5-2-8(6-11(13)17)14(24)23-15(26)22-12-4-3-9(21)7-10(12)16(18,19)20/h2-7H,1H3,(H2,22,23,24,26)