N-[(4-chloranyl-2,5-dimethoxy-phenyl)carbamothioyl]-1,3-benzodioxole-5-carboxamide

Systemtic Name: N-[(4-chloranyl-2,5-dimethoxy-phenyl)carbamothioyl]-1,3-benzodioxole-5-carboxamide Openeye Name: N-[(4-chloro-2,5-dimethoxy-phenyl)carbamothioyl]-1,3-benzodioxole-5-carboxamide CAS Name: N-[(4-chloro-2,5-dimethoxyanilino)-sulfanylidenemethyl]-1,3-benzodioxole-5-carboxamide IUPAC Name: N-[(4-chloro-2,5-dimethoxyphenyl)carbamothioyl]-1,3-benzodioxole-5-carboxamide Traditional Name: N-[(4-chloro-2,5-dimethoxy-phenyl)thiocarbamoyl]-piperonylamide Formula: C17H15ClN2O5S MolecularWeight: 394.8294

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1NC(=S)NC(=O)C2=CC3=C(C=C2)OCO3)OC)Cl

Isomeric SMILES

COC1=CC(=C(C=C1NC(=S)NC(=O)C2=CC3=C(C=C2)OCO3)OC)Cl

InChI

InChI=1S/C17H15ClN2O5S/c1-22-13-7-11(14(23-2)6-10(13)18)19-17(26)20-16(21)9-3-4-12-15(5-9)25-8-24-12/h3-7H,8H2,1-2H3,(H2,19,20,21,26)