N-[(2-bromanyl-4-nitro-phenyl)carbamothioyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide

Systemtic Name: N-[(2-bromanyl-4-nitro-phenyl)carbamothioyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide Openeye Name: N-[(2-bromo-4-nitro-phenyl)carbamothioyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide CAS Name: N-[(2-bromo-4-nitroanilino)-sulfanylidenemethyl]-2,3-dihydro-1,4-benzodioxin-6-carboxamide IUPAC Name: N-[(2-bromo-4-nitrophenyl)carbamothioyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide Traditional Name: N-[(2-bromo-4-nitro-phenyl)thiocarbamoyl]-2,3-dihydro-1,4-benzodioxin-6-carboxamide Formula: C16H12BrN3O5S MolecularWeight: 438.25258

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(O1)C=CC(=C2)C(=O)NC(=S)NC3=C(C=C(C=C3)[N+](=O)[O-])Br

Isomeric SMILES

C1COC2=C(O1)C=CC(=C2)C(=O)NC(=S)NC3=C(C=C(C=C3)[N+](=O)[O-])Br

InChI

InChI=1S/C16H12BrN3O5S/c17-11-8-10(20(22)23)2-3-12(11)18-16(26)19-15(21)9-1-4-13-14(7-9)25-6-5-24-13/h1-4,7-8H,5-6H2,(H2,18,19,21,26)