N-[[2-[1,6-bis(bromanyl)naphthalen-2-yl]oxyethanoylamino]carbamothioyl]-3-nitro-benzamide

Systemtic Name: N-[[2-[1,6-bis(bromanyl)naphthalen-2-yl]oxyethanoylamino]carbamothioyl]-3-nitro-benzamide Openeye Name: N-[[[2-[(1,6-dibromo-2-naphthyl)oxy]acetyl]amino]carbamothioyl]-3-nitro-benzamide CAS Name: N-[[[2-[(1,6-dibromo-2-naphthalenyl)oxy]-1-oxoethyl]hydrazo]-sulfanylidenemethyl]-3-nitrobenzamide IUPAC Name: N-[[[2-(1,6-dibromonaphthalen-2-yl)oxyacetyl]amino]carbamothioyl]-3-nitrobenzamide Traditional Name: N-[[[2-(1,6-dibromo-2-naphthoxy)acetyl]amino]thiocarbamoyl]-3-nitro-benzamide Formula: C20H14Br2N4O5S MolecularWeight: 582.22196

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)NC(=S)NNC(=O)COC2=C(C3=C(C=C2)C=C(C=C3)Br)Br

Isomeric SMILES

C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)NC(=S)NNC(=O)COC2=C(C3=C(C=C2)C=C(C=C3)Br)Br

InChI

InChI=1S/C20H14Br2N4O5S/c21-13-5-6-15-11(8-13)4-7-16(18(15)22)31-10-17(27)24-25-20(32)23-19(28)12-2-1-3-14(9-12)26(29)30/h1-9H,10H2,(H,24,27)(H2,23,25,28,32)