N-[[2-chloranyl-5-(trifluoromethyl)phenyl]carbamothioyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide

Systemtic Name: N-[[2-chloranyl-5-(trifluoromethyl)phenyl]carbamothioyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide Openeye Name: N-[[2-chloro-5-(trifluoromethyl)phenyl]carbamothioyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide CAS Name: N-[[2-chloro-5-(trifluoromethyl)anilino]-sulfanylidenemethyl]-2,3-dihydro-1,4-benzodioxin-6-carboxamide IUPAC Name: N-[[2-chloro-5-(trifluoromethyl)phenyl]carbamothioyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide Traditional Name: N-[[2-chloro-5-(trifluoromethyl)phenyl]thiocarbamoyl]-2,3-dihydro-1,4-benzodioxin-6-carboxamide Formula: C17H12ClF3N2O3S MolecularWeight: 416.80199

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(O1)C=CC(=C2)C(=O)NC(=S)NC3=C(C=CC(=C3)C(F)(F)F)Cl

Isomeric SMILES

C1COC2=C(O1)C=CC(=C2)C(=O)NC(=S)NC3=C(C=CC(=C3)C(F)(F)F)Cl

InChI

InChI=1S/C17H12ClF3N2O3S/c18-11-3-2-10(17(19,20)21)8-12(11)22-16(27)23-15(24)9-1-4-13-14(7-9)26-6-5-25-13/h1-4,7-8H,5-6H2,(H2,22,23,24,27)