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

Systemtic Name: N-[[3,5-bis(trifluoromethyl)phenyl]carbamothioyl]-2,1,3-benzothiadiazole-5-carboxamide Openeye Name: N-[[3,5-bis(trifluoromethyl)phenyl]carbamothioyl]-2,1,3-benzothiadiazole-5-carboxamide CAS Name: N-[[3,5-bis(trifluoromethyl)anilino]-sulfanylidenemethyl]-2,1,3-benzothiadiazole-5-carboxamide IUPAC Name: N-[[3,5-bis(trifluoromethyl)phenyl]carbamothioyl]-2,1,3-benzothiadiazole-5-carboxamide Traditional Name: N-[[3,5-bis(trifluoromethyl)phenyl]thiocarbamoyl]piazthiole-5-carboxamide Formula: C16H8F6N4OS2 MolecularWeight: 450.381339

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H8F6N4OS2/c17-15(18,19)8-4-9(16(20,21)22)6-10(5-8)23-14(28)24-13(27)7-1-2-11-12(3-7)26-29-25-11/h1-6H,(H2,23,24,27,28)