[2-[(4-aminocarbonylphenyl)amino]-2-oxidanylidene-ethyl] 2-(4-bromanyl-2,5-dimethyl-phenyl)sulfanylethanoate

Systemtic Name: [2-[(4-aminocarbonylphenyl)amino]-2-oxidanylidene-ethyl] 2-(4-bromanyl-2,5-dimethyl-phenyl)sulfanylethanoate Openeye Name: [2-(4-carbamoylanilino)-2-oxo-ethyl] 2-(4-bromo-2,5-dimethyl-phenyl)sulfanylacetate CAS Name: 2-[(4-bromo-2,5-dimethylphenyl)thio]acetic acid [2-(4-carbamoylanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-carbamoylanilino)-2-oxoethyl] 2-(4-bromo-2,5-dimethylphenyl)sulfanylacetate Traditional Name: 2-[(4-bromo-2,5-dimethyl-phenyl)thio]acetic acid [2-(4-carbamoylanilino)-2-keto-ethyl] ester Formula: C19H19BrN2O4S MolecularWeight: 451.33416

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1Br)C)SCC(=O)OCC(=O)NC2=CC=C(C=C2)C(=O)N

Isomeric SMILES

CC1=CC(=C(C=C1Br)C)SCC(=O)OCC(=O)NC2=CC=C(C=C2)C(=O)N

InChI

InChI=1S/C19H19BrN2O4S/c1-11-8-16(12(2)7-15(11)20)27-10-18(24)26-9-17(23)22-14-5-3-13(4-6-14)19(21)25/h3-8H,9-10H2,1-2H3,(H2,21,25)(H,22,23)