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

Systemtic Name: ethyl 4-[2-[1,6-bis(bromanyl)naphthalen-2-yl]oxyethanoylcarbamothioylamino]benzoate Openeye Name: ethyl 4-[[2-[(1,6-dibromo-2-naphthyl)oxy]acetyl]carbamothioylamino]benzoate CAS Name: 4-[[[[2-[(1,6-dibromo-2-naphthalenyl)oxy]-1-oxoethyl]amino]-sulfanylidenemethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[2-(1,6-dibromonaphthalen-2-yl)oxyacetyl]carbamothioylamino]benzoate Traditional Name: 4-[[2-(1,6-dibromo-2-naphthoxy)acetyl]thiocarbamoylamino]benzoic acid ethyl ester Formula: C22H18Br2N2O4S MolecularWeight: 566.26232

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H18Br2N2O4S/c1-2-29-21(28)13-3-7-16(8-4-13)25-22(31)26-19(27)12-30-18-10-5-14-11-15(23)6-9-17(14)20(18)24/h3-11H,2,12H2,1H3,(H2,25,26,27,31)