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

Systemtic Name: N-[[4-iodanyl-2-(trifluoromethyl)phenyl]carbamothioyl]-3-methoxy-benzamide Openeye Name: N-[[4-iodo-2-(trifluoromethyl)phenyl]carbamothioyl]-3-methoxy-benzamide CAS Name: N-[[4-iodo-2-(trifluoromethyl)anilino]-sulfanylidenemethyl]-3-methoxybenzamide IUPAC Name: N-[[4-iodo-2-(trifluoromethyl)phenyl]carbamothioyl]-3-methoxybenzamide Traditional Name: N-[[4-iodo-2-(trifluoromethyl)phenyl]thiocarbamoyl]-3-methoxy-benzamide Formula: C16H12F3IN2O2S MolecularWeight: 480.24336

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H12F3IN2O2S/c1-24-11-4-2-3-9(7-11)14(23)22-15(25)21-13-6-5-10(20)8-12(13)16(17,18)19/h2-8H,1H3,(H2,21,22,23,25)