N-[[2-chloranyl-5-(trifluoromethyl)phenyl]carbamothioyl]-1,3-benzodioxole-5-carboxamide

Systemtic Name: N-[[2-chloranyl-5-(trifluoromethyl)phenyl]carbamothioyl]-1,3-benzodioxole-5-carboxamide Openeye Name: N-[[2-chloro-5-(trifluoromethyl)phenyl]carbamothioyl]-1,3-benzodioxole-5-carboxamide CAS Name: N-[[2-chloro-5-(trifluoromethyl)anilino]-sulfanylidenemethyl]-1,3-benzodioxole-5-carboxamide IUPAC Name: N-[[2-chloro-5-(trifluoromethyl)phenyl]carbamothioyl]-1,3-benzodioxole-5-carboxamide Traditional Name: N-[[2-chloro-5-(trifluoromethyl)phenyl]thiocarbamoyl]-piperonylamide Formula: C16H10ClF3N2O3S MolecularWeight: 402.77541

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H10ClF3N2O3S/c17-10-3-2-9(16(18,19)20)6-11(10)21-15(26)22-14(23)8-1-4-12-13(5-8)25-7-24-12/h1-6H,7H2,(H2,21,22,23,26)