N-[(2,4-dimethoxyphenyl)carbamothioyl]-1,3-benzodioxole-5-carboxamide

Systemtic Name: N-[(2,4-dimethoxyphenyl)carbamothioyl]-1,3-benzodioxole-5-carboxamide Openeye Name: N-[(2,4-dimethoxyphenyl)carbamothioyl]-1,3-benzodioxole-5-carboxamide CAS Name: N-[(2,4-dimethoxyanilino)-sulfanylidenemethyl]-1,3-benzodioxole-5-carboxamide IUPAC Name: N-[(2,4-dimethoxyphenyl)carbamothioyl]-1,3-benzodioxole-5-carboxamide Traditional Name: N-[(2,4-dimethoxyphenyl)thiocarbamoyl]-piperonylamide Formula: C17H16N2O5S MolecularWeight: 360.38434

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)NC(=S)NC(=O)C2=CC3=C(C=C2)OCO3)OC

Isomeric SMILES

COC1=CC(=C(C=C1)NC(=S)NC(=O)C2=CC3=C(C=C2)OCO3)OC

InChI

InChI=1S/C17H16N2O5S/c1-21-11-4-5-12(14(8-11)22-2)18-17(25)19-16(20)10-3-6-13-15(7-10)24-9-23-13/h3-8H,9H2,1-2H3,(H2,18,19,20,25)