N-[[2-[1,6-bis(bromanyl)naphthalen-2-yl]oxyethanoylamino]carbamothioyl]-4-pentoxy-benzamide

Systemtic Name: N-[[2-[1,6-bis(bromanyl)naphthalen-2-yl]oxyethanoylamino]carbamothioyl]-4-pentoxy-benzamide Openeye Name: N-[[[2-[(1,6-dibromo-2-naphthyl)oxy]acetyl]amino]carbamothioyl]-4-pentoxy-benzamide CAS Name: N-[[[2-[(1,6-dibromo-2-naphthalenyl)oxy]-1-oxoethyl]hydrazo]-sulfanylidenemethyl]-4-pentoxybenzamide IUPAC Name: N-[[[2-(1,6-dibromonaphthalen-2-yl)oxyacetyl]amino]carbamothioyl]-4-pentoxybenzamide Traditional Name: 4-amoxy-N-[[[2-(1,6-dibromo-2-naphthoxy)acetyl]amino]thiocarbamoyl]benzamide Formula: C25H25Br2N3O4S MolecularWeight: 623.3567

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=CC=C(C=C1)C(=O)NC(=S)NNC(=O)COC2=C(C3=C(C=C2)C=C(C=C3)Br)Br

Isomeric SMILES

CCCCCOC1=CC=C(C=C1)C(=O)NC(=S)NNC(=O)COC2=C(C3=C(C=C2)C=C(C=C3)Br)Br

InChI

InChI=1S/C25H25Br2N3O4S/c1-2-3-4-13-33-19-9-5-16(6-10-19)24(32)28-25(35)30-29-22(31)15-34-21-12-7-17-14-18(26)8-11-20(17)23(21)27/h5-12,14H,2-4,13,15H2,1H3,(H,29,31)(H2,28,30,32,35)