methyl 3-[[2-[2,4-bis(bromanyl)phenoxy]ethanoylamino]carbamothioylcarbamoyl]benzoate

Systemtic Name: methyl 3-[[2-[2,4-bis(bromanyl)phenoxy]ethanoylamino]carbamothioylcarbamoyl]benzoate Openeye Name: methyl 3-[[[2-(2,4-dibromophenoxy)acetyl]amino]carbamothioylcarbamoyl]benzoate CAS Name: 3-[[[[[2-(2,4-dibromophenoxy)-1-oxoethyl]hydrazo]-sulfanylidenemethyl]amino]-oxomethyl]benzoic acid methyl ester IUPAC Name: methyl 3-[[[2-(2,4-dibromophenoxy)acetyl]amino]carbamothioylcarbamoyl]benzoate Traditional Name: 3-[[[2-(2,4-dibromophenoxy)acetyl]amino]thiocarbamoylcarbamoyl]benzoic acid methyl ester Formula: C18H15Br2N3O5S MolecularWeight: 545.2018

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H15Br2N3O5S/c1-27-17(26)11-4-2-3-10(7-11)16(25)21-18(29)23-22-15(24)9-28-14-6-5-12(19)8-13(14)20/h2-8H,9H2,1H3,(H,22,24)(H2,21,23,25,29)