[1-[(4-aminocarbonylphenyl)amino]-1-oxidanylidene-propan-2-yl] 2-(4-bromanyl-2-methyl-phenyl)sulfanylethanoate

Systemtic Name: [1-[(4-aminocarbonylphenyl)amino]-1-oxidanylidene-propan-2-yl] 2-(4-bromanyl-2-methyl-phenyl)sulfanylethanoate Openeye Name: [2-(4-carbamoylanilino)-1-methyl-2-oxo-ethyl] 2-(4-bromo-2-methyl-phenyl)sulfanylacetate CAS Name: 2-[(4-bromo-2-methylphenyl)thio]acetic acid [1-(4-carbamoylanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(4-carbamoylanilino)-1-oxopropan-2-yl] 2-(4-bromo-2-methylphenyl)sulfanylacetate Traditional Name: 2-[(4-bromo-2-methyl-phenyl)thio]acetic acid [2-(4-carbamoylanilino)-2-keto-1-methyl-ethyl] ester Formula: C19H19BrN2O4S MolecularWeight: 451.33416

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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