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

Systemtic Name: methyl 4-[2-[1,6-bis(bromanyl)naphthalen-2-yl]oxyethanoylcarbamothioylamino]benzoate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 4-[[2-(1,6-dibromonaphthalen-2-yl)oxyacetyl]carbamothioylamino]benzoate Traditional Name: 4-[[2-(1,6-dibromo-2-naphthoxy)acetyl]thiocarbamoylamino]benzoic acid methyl ester Formula: C21H16Br2N2O4S MolecularWeight: 552.23574

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

COC(=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/C21H16Br2N2O4S/c1-28-20(27)12-2-6-15(7-3-12)24-21(30)25-18(26)11-29-17-9-4-13-10-14(22)5-8-16(13)19(17)23/h2-10H,11H2,1H3,(H2,24,25,26,30)