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

Systemtic Name: N-[(5-nitro-2-oxidanyl-phenyl)carbamothioyl]-1,3-benzodioxole-5-carboxamide Openeye Name: N-[(2-hydroxy-5-nitro-phenyl)carbamothioyl]-1,3-benzodioxole-5-carboxamide CAS Name: N-[(2-hydroxy-5-nitroanilino)-sulfanylidenemethyl]-1,3-benzodioxole-5-carboxamide IUPAC Name: N-[(2-hydroxy-5-nitrophenyl)carbamothioyl]-1,3-benzodioxole-5-carboxamide Traditional Name: N-[(2-hydroxy-5-nitro-phenyl)thiocarbamoyl]-piperonylamide Formula: C15H11N3O6S MolecularWeight: 361.32934

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C(=O)NC(=S)NC3=C(C=CC(=C3)[N+](=O)[O-])O

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)C(=O)NC(=S)NC3=C(C=CC(=C3)[N+](=O)[O-])O

InChI

InChI=1S/C15H11N3O6S/c19-11-3-2-9(18(21)22)6-10(11)16-15(25)17-14(20)8-1-4-12-13(5-8)24-7-23-12/h1-6,19H,7H2,(H2,16,17,20,25)