N-[[2-(1-bromanylnaphthalen-2-yl)oxyethanoylamino]carbamothioyl]-2-(4-nitrophenoxy)ethanamide

Systemtic Name: N-[[2-(1-bromanylnaphthalen-2-yl)oxyethanoylamino]carbamothioyl]-2-(4-nitrophenoxy)ethanamide Openeye Name: N-[[[2-[(1-bromo-2-naphthyl)oxy]acetyl]amino]carbamothioyl]-2-(4-nitrophenoxy)acetamide CAS Name: N-[[[2-[(1-bromo-2-naphthalenyl)oxy]-1-oxoethyl]hydrazo]-sulfanylidenemethyl]-2-(4-nitrophenoxy)acetamide IUPAC Name: N-[[[2-(1-bromonaphthalen-2-yl)oxyacetyl]amino]carbamothioyl]-2-(4-nitrophenoxy)acetamide Traditional Name: N-[[[2-(1-bromo-2-naphthoxy)acetyl]amino]thiocarbamoyl]-2-(4-nitrophenoxy)acetamide Formula: C21H17BrN4O6S MolecularWeight: 533.35188

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CC(=C2Br)OCC(=O)NNC(=S)NC(=O)COC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)C=CC(=C2Br)OCC(=O)NNC(=S)NC(=O)COC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H17BrN4O6S/c22-20-16-4-2-1-3-13(16)5-10-17(20)32-12-19(28)24-25-21(33)23-18(27)11-31-15-8-6-14(7-9-15)26(29)30/h1-10H,11-12H2,(H,24,28)(H2,23,25,27,33)