N-[(2-methoxy-5-nitro-phenyl)carbamothioyl]-1,3-benzodioxole-5-carboxamide

Systemtic Name: N-[(2-methoxy-5-nitro-phenyl)carbamothioyl]-1,3-benzodioxole-5-carboxamide Openeye Name: N-[(2-methoxy-5-nitro-phenyl)carbamothioyl]-1,3-benzodioxole-5-carboxamide CAS Name: N-[(2-methoxy-5-nitroanilino)-sulfanylidenemethyl]-1,3-benzodioxole-5-carboxamide IUPAC Name: N-[(2-methoxy-5-nitrophenyl)carbamothioyl]-1,3-benzodioxole-5-carboxamide Traditional Name: N-[(2-methoxy-5-nitro-phenyl)thiocarbamoyl]-piperonylamide Formula: C16H13N3O6S MolecularWeight: 375.35592

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)[N+](=O)[O-])NC(=S)NC(=O)C2=CC3=C(C=C2)OCO3

Isomeric SMILES

COC1=C(C=C(C=C1)[N+](=O)[O-])NC(=S)NC(=O)C2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C16H13N3O6S/c1-23-12-5-3-10(19(21)22)7-11(12)17-16(26)18-15(20)9-2-4-13-14(6-9)25-8-24-13/h2-7H,8H2,1H3,(H2,17,18,20,26)