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

Systemtic Name: methyl 4-[[2-[1,6-bis(bromanyl)naphthalen-2-yl]oxyethanoylamino]carbamothioylcarbamoyl]benzoate Openeye Name: methyl 4-[[[2-[(1,6-dibromo-2-naphthyl)oxy]acetyl]amino]carbamothioylcarbamoyl]benzoate CAS Name: 4-[[[[[2-[(1,6-dibromo-2-naphthalenyl)oxy]-1-oxoethyl]hydrazo]-sulfanylidenemethyl]amino]-oxomethyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[[2-(1,6-dibromonaphthalen-2-yl)oxyacetyl]amino]carbamothioylcarbamoyl]benzoate Traditional Name: 4-[[[2-(1,6-dibromo-2-naphthoxy)acetyl]amino]thiocarbamoylcarbamoyl]benzoic acid methyl ester Formula: C22H17Br2N3O5S MolecularWeight: 595.26048

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H17Br2N3O5S/c1-31-21(30)13-4-2-12(3-5-13)20(29)25-22(33)27-26-18(28)11-32-17-9-6-14-10-15(23)7-8-16(14)19(17)24/h2-10H,11H2,1H3,(H,26,28)(H2,25,27,29,33)