methyl 3-[[2-[2,4-bis(bromanyl)-6-methyl-phenoxy]ethanoylamino]carbamothioylcarbamoyl]benzoate

Systemtic Name: methyl 3-[[2-[2,4-bis(bromanyl)-6-methyl-phenoxy]ethanoylamino]carbamothioylcarbamoyl]benzoate Openeye Name: methyl 3-[[[2-(2,4-dibromo-6-methyl-phenoxy)acetyl]amino]carbamothioylcarbamoyl]benzoate CAS Name: 3-[[[[[2-(2,4-dibromo-6-methylphenoxy)-1-oxoethyl]hydrazo]-sulfanylidenemethyl]amino]-oxomethyl]benzoic acid methyl ester IUPAC Name: methyl 3-[[[2-(2,4-dibromo-6-methylphenoxy)acetyl]amino]carbamothioylcarbamoyl]benzoate Traditional Name: 3-[[[2-(2,4-dibromo-6-methyl-phenoxy)acetyl]amino]thiocarbamoylcarbamoyl]benzoic acid methyl ester Formula: C19H17Br2N3O5S MolecularWeight: 559.22838

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1OCC(=O)NNC(=S)NC(=O)C2=CC(=CC=C2)C(=O)OC)Br)Br

Isomeric SMILES

CC1=CC(=CC(=C1OCC(=O)NNC(=S)NC(=O)C2=CC(=CC=C2)C(=O)OC)Br)Br

InChI

InChI=1S/C19H17Br2N3O5S/c1-10-6-13(20)8-14(21)16(10)29-9-15(25)23-24-19(30)22-17(26)11-4-3-5-12(7-11)18(27)28-2/h3-8H,9H2,1-2H3,(H,23,25)(H2,22,24,26,30)