N-[[3,5-bis(bromanyl)-4-oxidanyl-phenyl]carbamothioyl]-4-ethoxy-3-nitro-benzamide

Systemtic Name: N-[[3,5-bis(bromanyl)-4-oxidanyl-phenyl]carbamothioyl]-4-ethoxy-3-nitro-benzamide Openeye Name: N-[(3,5-dibromo-4-hydroxy-phenyl)carbamothioyl]-4-ethoxy-3-nitro-benzamide CAS Name: N-[(3,5-dibromo-4-hydroxyanilino)-sulfanylidenemethyl]-4-ethoxy-3-nitrobenzamide IUPAC Name: N-[(3,5-dibromo-4-hydroxyphenyl)carbamothioyl]-4-ethoxy-3-nitrobenzamide Traditional Name: N-[(3,5-dibromo-4-hydroxy-phenyl)thiocarbamoyl]-4-ethoxy-3-nitro-benzamide Formula: C16H13Br2N3O5S MolecularWeight: 519.16452

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC(=C(C(=C2)Br)O)Br)[N+](=O)[O-]

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC(=C(C(=C2)Br)O)Br)[N+](=O)[O-]

InChI

InChI=1S/C16H13Br2N3O5S/c1-2-26-13-4-3-8(5-12(13)21(24)25)15(23)20-16(27)19-9-6-10(17)14(22)11(18)7-9/h3-7,22H,2H2,1H3,(H2,19,20,23,27)