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

Systemtic Name: N-[[2-[1,6-bis(bromanyl)naphthalen-2-yl]oxyethanoylamino]carbamothioyl]-2-phenyl-ethanamide Openeye Name: N-[[[2-[(1,6-dibromo-2-naphthyl)oxy]acetyl]amino]carbamothioyl]-2-phenyl-acetamide CAS Name: N-[[[2-[(1,6-dibromo-2-naphthalenyl)oxy]-1-oxoethyl]hydrazo]-sulfanylidenemethyl]-2-phenylacetamide IUPAC Name: N-[[[2-(1,6-dibromonaphthalen-2-yl)oxyacetyl]amino]carbamothioyl]-2-phenylacetamide Traditional Name: N-[[[2-(1,6-dibromo-2-naphthoxy)acetyl]amino]thiocarbamoyl]-2-phenyl-acetamide Formula: C21H17Br2N3O3S MolecularWeight: 551.25098

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H17Br2N3O3S/c22-15-7-8-16-14(11-15)6-9-17(20(16)23)29-12-19(28)25-26-21(30)24-18(27)10-13-4-2-1-3-5-13/h1-9,11H,10,12H2,(H,25,28)(H2,24,26,27,30)