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

Systemtic Name: N-[[4-iodanyl-2-(trifluoromethyl)phenyl]carbamothioyl]-4-methoxy-3-nitro-benzamide Openeye Name: N-[[4-iodo-2-(trifluoromethyl)phenyl]carbamothioyl]-4-methoxy-3-nitro-benzamide CAS Name: N-[[4-iodo-2-(trifluoromethyl)anilino]-sulfanylidenemethyl]-4-methoxy-3-nitrobenzamide IUPAC Name: N-[[4-iodo-2-(trifluoromethyl)phenyl]carbamothioyl]-4-methoxy-3-nitrobenzamide Traditional Name: N-[[4-iodo-2-(trifluoromethyl)phenyl]thiocarbamoyl]-4-methoxy-3-nitro-benzamide Formula: C16H11F3IN3O4S MolecularWeight: 525.24092

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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)[N+](=O)[O-]

Isomeric SMILES

COC1=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/C16H11F3IN3O4S/c1-27-13-5-2-8(6-12(13)23(25)26)14(24)22-15(28)21-11-4-3-9(20)7-10(11)16(17,18)19/h2-7H,1H3,(H2,21,22,24,28)