4-[2-[1,6-bis(bromanyl)naphthalen-2-yl]oxyethanoylcarbamothioylamino]benzamide

Systemtic Name: 4-[2-[1,6-bis(bromanyl)naphthalen-2-yl]oxyethanoylcarbamothioylamino]benzamide Openeye Name: 4-[[2-[(1,6-dibromo-2-naphthyl)oxy]acetyl]carbamothioylamino]benzamide CAS Name: 4-[[[[2-[(1,6-dibromo-2-naphthalenyl)oxy]-1-oxoethyl]amino]-sulfanylidenemethyl]amino]benzamide IUPAC Name: 4-[[2-(1,6-dibromonaphthalen-2-yl)oxyacetyl]carbamothioylamino]benzamide Traditional Name: 4-[[2-(1,6-dibromo-2-naphthoxy)acetyl]thiocarbamoylamino]benzamide Formula: C20H15Br2N3O3S MolecularWeight: 537.2244

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)N)NC(=S)NC(=O)COC2=C(C3=C(C=C2)C=C(C=C3)Br)Br

Isomeric SMILES

C1=CC(=CC=C1C(=O)N)NC(=S)NC(=O)COC2=C(C3=C(C=C2)C=C(C=C3)Br)Br

InChI

InChI=1S/C20H15Br2N3O3S/c21-13-4-7-15-12(9-13)3-8-16(18(15)22)28-10-17(26)25-20(29)24-14-5-1-11(2-6-14)19(23)27/h1-9H,10H2,(H2,23,27)(H2,24,25,26,29)