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

Systemtic Name: N-[[4-iodanyl-2-(trifluoromethyl)phenyl]carbamothioyl]-3-phenylmethoxy-benzamide Openeye Name: 3-benzyloxy-N-[[4-iodo-2-(trifluoromethyl)phenyl]carbamothioyl]benzamide CAS Name: N-[[4-iodo-2-(trifluoromethyl)anilino]-sulfanylidenemethyl]-3-phenylmethoxybenzamide IUPAC Name: N-[[4-iodo-2-(trifluoromethyl)phenyl]carbamothioyl]-3-phenylmethoxybenzamide Traditional Name: 3-benzoxy-N-[[4-iodo-2-(trifluoromethyl)phenyl]thiocarbamoyl]benzamide Formula: C22H16F3IN2O2S MolecularWeight: 556.33932

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC2=CC=CC(=C2)C(=O)NC(=S)NC3=C(C=C(C=C3)I)C(F)(F)F

Isomeric SMILES

C1=CC=C(C=C1)COC2=CC=CC(=C2)C(=O)NC(=S)NC3=C(C=C(C=C3)I)C(F)(F)F

InChI

InChI=1S/C22H16F3IN2O2S/c23-22(24,25)18-12-16(26)9-10-19(18)27-21(31)28-20(29)15-7-4-8-17(11-15)30-13-14-5-2-1-3-6-14/h1-12H,13H2,(H2,27,28,29,31)