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

Systemtic Name: N-[[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]carbamothioyl]-2,1,3-benzothiadiazole-5-carboxamide Openeye Name: N-[[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]carbamothioyl]-2,1,3-benzothiadiazole-5-carboxamide CAS Name: N-[[2-(1-pyrrolidinyl)-5-(trifluoromethyl)anilino]-sulfanylidenemethyl]-2,1,3-benzothiadiazole-5-carboxamide IUPAC Name: N-[[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]carbamothioyl]-2,1,3-benzothiadiazole-5-carboxamide Traditional Name: N-[[2-pyrrolidino-5-(trifluoromethyl)phenyl]thiocarbamoyl]piazthiole-5-carboxamide Formula: C19H16F3N5OS2 MolecularWeight: 451.48845

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=C(C=C(C=C2)C(F)(F)F)NC(=S)NC(=O)C3=CC4=NSN=C4C=C3

Isomeric SMILES

C1CCN(C1)C2=C(C=C(C=C2)C(F)(F)F)NC(=S)NC(=O)C3=CC4=NSN=C4C=C3

InChI

InChI=1S/C19H16F3N5OS2/c20-19(21,22)12-4-6-16(27-7-1-2-8-27)15(10-12)23-18(29)24-17(28)11-3-5-13-14(9-11)26-30-25-13/h3-6,9-10H,1-2,7-8H2,(H2,23,24,28,29)