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

Systemtic Name: N-[[2-[1,6-bis(bromanyl)naphthalen-2-yl]oxyethanoylamino]carbamothioyl]-2-bromanyl-benzamide Openeye Name: 2-bromo-N-[[[2-[(1,6-dibromo-2-naphthyl)oxy]acetyl]amino]carbamothioyl]benzamide CAS Name: 2-bromo-N-[[[2-[(1,6-dibromo-2-naphthalenyl)oxy]-1-oxoethyl]hydrazo]-sulfanylidenemethyl]benzamide IUPAC Name: 2-bromo-N-[[[2-(1,6-dibromonaphthalen-2-yl)oxyacetyl]amino]carbamothioyl]benzamide Traditional Name: 2-bromo-N-[[[2-(1,6-dibromo-2-naphthoxy)acetyl]amino]thiocarbamoyl]benzamide Formula: C20H14Br3N3O3S MolecularWeight: 616.12046

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H14Br3N3O3S/c21-12-6-7-13-11(9-12)5-8-16(18(13)23)29-10-17(27)25-26-20(30)24-19(28)14-3-1-2-4-15(14)22/h1-9H,10H2,(H,25,27)(H2,24,26,28,30)