[2-[(3,5-diaminocarbonylphenyl)amino]-2-oxidanylidene-ethyl] 2-(4-bromanyl-2-methyl-phenyl)sulfanylethanoate

Systemtic Name: [2-[(3,5-diaminocarbonylphenyl)amino]-2-oxidanylidene-ethyl] 2-(4-bromanyl-2-methyl-phenyl)sulfanylethanoate Openeye Name: [2-(3,5-dicarbamoylanilino)-2-oxo-ethyl] 2-(4-bromo-2-methyl-phenyl)sulfanylacetate CAS Name: 2-[(4-bromo-2-methylphenyl)thio]acetic acid [2-(3,5-dicarbamoylanilino)-2-oxoethyl] ester IUPAC Name: [2-(3,5-dicarbamoylanilino)-2-oxoethyl] 2-(4-bromo-2-methylphenyl)sulfanylacetate Traditional Name: 2-[(4-bromo-2-methyl-phenyl)thio]acetic acid [2-(3,5-dicarbamoylanilino)-2-keto-ethyl] ester Formula: C19H18BrN3O5S MolecularWeight: 480.33232

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Br)SCC(=O)OCC(=O)NC2=CC(=CC(=C2)C(=O)N)C(=O)N

Isomeric SMILES

CC1=C(C=CC(=C1)Br)SCC(=O)OCC(=O)NC2=CC(=CC(=C2)C(=O)N)C(=O)N

InChI

InChI=1S/C19H18BrN3O5S/c1-10-4-13(20)2-3-15(10)29-9-17(25)28-8-16(24)23-14-6-11(18(21)26)5-12(7-14)19(22)27/h2-7H,8-9H2,1H3,(H2,21,26)(H2,22,27)(H,23,24)