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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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