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

Systemtic Name: methyl 3-[[2-(4-bromanyl-2-chloranyl-phenoxy)ethanoylamino]carbamothioylcarbamoyl]benzoate Openeye Name: methyl 3-[[[2-(4-bromo-2-chloro-phenoxy)acetyl]amino]carbamothioylcarbamoyl]benzoate CAS Name: 3-[[[[[2-(4-bromo-2-chlorophenoxy)-1-oxoethyl]hydrazo]-sulfanylidenemethyl]amino]-oxomethyl]benzoic acid methyl ester IUPAC Name: methyl 3-[[[2-(4-bromo-2-chlorophenoxy)acetyl]amino]carbamothioylcarbamoyl]benzoate Traditional Name: 3-[[[2-(4-bromo-2-chloro-phenoxy)acetyl]amino]thiocarbamoylcarbamoyl]benzoic acid methyl ester Formula: C18H15BrClN3O5S MolecularWeight: 500.7508

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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)Cl

Isomeric SMILES

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

InChI

InChI=1S/C18H15BrClN3O5S/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)