N-[[4-iodanyl-2-(trifluoromethyl)phenyl]carbamothioyl]-3,4,5-trimethoxy-benzamide

Systemtic Name: N-[[4-iodanyl-2-(trifluoromethyl)phenyl]carbamothioyl]-3,4,5-trimethoxy-benzamide Openeye Name: N-[[4-iodo-2-(trifluoromethyl)phenyl]carbamothioyl]-3,4,5-trimethoxy-benzamide CAS Name: N-[[4-iodo-2-(trifluoromethyl)anilino]-sulfanylidenemethyl]-3,4,5-trimethoxybenzamide IUPAC Name: N-[[4-iodo-2-(trifluoromethyl)phenyl]carbamothioyl]-3,4,5-trimethoxybenzamide Traditional Name: N-[[4-iodo-2-(trifluoromethyl)phenyl]thiocarbamoyl]-3,4,5-trimethoxy-benzamide Formula: C18H16F3IN2O4S MolecularWeight: 540.29532

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C(=O)NC(=S)NC2=C(C=C(C=C2)I)C(F)(F)F

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C(=O)NC(=S)NC2=C(C=C(C=C2)I)C(F)(F)F

InChI

InChI=1S/C18H16F3IN2O4S/c1-26-13-6-9(7-14(27-2)15(13)28-3)16(25)24-17(29)23-12-5-4-10(22)8-11(12)18(19,20)21/h4-8H,1-3H3,(H2,23,24,25,29)