N-[[4-iodanyl-2-(trifluoromethyl)phenyl]carbamothioyl]-2,1,3-benzothiadiazole-5-carboxamide

Systemtic Name: N-[[4-iodanyl-2-(trifluoromethyl)phenyl]carbamothioyl]-2,1,3-benzothiadiazole-5-carboxamide Openeye Name: N-[[4-iodo-2-(trifluoromethyl)phenyl]carbamothioyl]-2,1,3-benzothiadiazole-5-carboxamide CAS Name: N-[[4-iodo-2-(trifluoromethyl)anilino]-sulfanylidenemethyl]-2,1,3-benzothiadiazole-5-carboxamide IUPAC Name: N-[[4-iodo-2-(trifluoromethyl)phenyl]carbamothioyl]-2,1,3-benzothiadiazole-5-carboxamide Traditional Name: N-[[4-iodo-2-(trifluoromethyl)phenyl]thiocarbamoyl]piazthiole-5-carboxamide Formula: C15H8F3IN4OS2 MolecularWeight: 508.2799

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=NSN=C2C=C1C(=O)NC(=S)NC3=C(C=C(C=C3)I)C(F)(F)F

Isomeric SMILES

C1=CC2=NSN=C2C=C1C(=O)NC(=S)NC3=C(C=C(C=C3)I)C(F)(F)F

InChI

InChI=1S/C15H8F3IN4OS2/c16-15(17,18)9-6-8(19)2-4-10(9)20-14(25)21-13(24)7-1-3-11-12(5-7)23-26-22-11/h1-6H,(H2,20,21,24,25)