3,5-bis(bromanyl)-2-[2-(4-nitrophenoxy)ethanoylcarbamothioylamino]benzoic acid

Systemtic Name: 3,5-bis(bromanyl)-2-[2-(4-nitrophenoxy)ethanoylcarbamothioylamino]benzoic acid Openeye Name: 3,5-dibromo-2-[[2-(4-nitrophenoxy)acetyl]carbamothioylamino]benzoic acid CAS Name: 3,5-dibromo-2-[[[[2-(4-nitrophenoxy)-1-oxoethyl]amino]-sulfanylidenemethyl]amino]benzoic acid IUPAC Name: 3,5-dibromo-2-[[2-(4-nitrophenoxy)acetyl]carbamothioylamino]benzoic acid Traditional Name: 3,5-dibromo-2-[[2-(4-nitrophenoxy)acetyl]thiocarbamoylamino]benzoic acid Formula: C16H11Br2N3O6S MolecularWeight: 533.14804

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1[N+](=O)[O-])OCC(=O)NC(=S)NC2=C(C=C(C=C2C(=O)O)Br)Br

Isomeric SMILES

C1=CC(=CC=C1[N+](=O)[O-])OCC(=O)NC(=S)NC2=C(C=C(C=C2C(=O)O)Br)Br

InChI

InChI=1S/C16H11Br2N3O6S/c17-8-5-11(15(23)24)14(12(18)6-8)20-16(28)19-13(22)7-27-10-3-1-9(2-4-10)21(25)26/h1-6H,7H2,(H,23,24)(H2,19,20,22,28)