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

Systemtic Name: N-[[3,5-bis(trifluoromethyl)phenyl]carbamothioyl]-1,3-benzodioxole-5-carboxamide Openeye Name: N-[[3,5-bis(trifluoromethyl)phenyl]carbamothioyl]-1,3-benzodioxole-5-carboxamide CAS Name: N-[[3,5-bis(trifluoromethyl)anilino]-sulfanylidenemethyl]-1,3-benzodioxole-5-carboxamide IUPAC Name: N-[[3,5-bis(trifluoromethyl)phenyl]carbamothioyl]-1,3-benzodioxole-5-carboxamide Traditional Name: N-[[3,5-bis(trifluoromethyl)phenyl]thiocarbamoyl]-piperonylamide Formula: C17H10F6N2O3S MolecularWeight: 436.328319

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C(=O)NC(=S)NC3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)C(=O)NC(=S)NC3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F

InChI

InChI=1S/C17H10F6N2O3S/c18-16(19,20)9-4-10(17(21,22)23)6-11(5-9)24-15(29)25-14(26)8-1-2-12-13(3-8)28-7-27-12/h1-6H,7H2,(H2,24,25,26,29)