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

Systemtic Name: N-[[4-iodanyl-2-(trifluoromethyl)phenyl]carbamothioyl]-4-methyl-benzamide Openeye Name: N-[[4-iodo-2-(trifluoromethyl)phenyl]carbamothioyl]-4-methyl-benzamide CAS Name: N-[[4-iodo-2-(trifluoromethyl)anilino]-sulfanylidenemethyl]-4-methylbenzamide IUPAC Name: N-[[4-iodo-2-(trifluoromethyl)phenyl]carbamothioyl]-4-methylbenzamide Traditional Name: N-[[4-iodo-2-(trifluoromethyl)phenyl]thiocarbamoyl]-4-methyl-benzamide Formula: C16H12F3IN2OS MolecularWeight: 464.24396

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)NC(=S)NC2=C(C=C(C=C2)I)C(F)(F)F

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)NC(=S)NC2=C(C=C(C=C2)I)C(F)(F)F

InChI

InChI=1S/C16H12F3IN2OS/c1-9-2-4-10(5-3-9)14(23)22-15(24)21-13-7-6-11(20)8-12(13)16(17,18)19/h2-8H,1H3,(H2,21,22,23,24)