[1-[(4-bromophenyl)amino]-1-oxidanylidene-propan-2-yl] 2-(1,3-thiazol-4-ylmethylsulfanyl)benzoate

Systemtic Name: [1-[(4-bromophenyl)amino]-1-oxidanylidene-propan-2-yl] 2-(1,3-thiazol-4-ylmethylsulfanyl)benzoate Openeye Name: [2-(4-bromoanilino)-1-methyl-2-oxo-ethyl] 2-(thiazol-4-ylmethylsulfanyl)benzoate CAS Name: 2-(4-thiazolylmethylthio)benzoic acid [1-(4-bromoanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(4-bromoanilino)-1-oxopropan-2-yl] 2-(1,3-thiazol-4-ylmethylsulfanyl)benzoate Traditional Name: 2-(thiazol-4-ylmethylthio)benzoic acid [2-(4-bromoanilino)-2-keto-1-methyl-ethyl] ester Formula: C20H17BrN2O3S2 MolecularWeight: 477.39458

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)Br)OC(=O)C2=CC=CC=C2SCC3=CSC=N3

Isomeric SMILES

CC(C(=O)NC1=CC=C(C=C1)Br)OC(=O)C2=CC=CC=C2SCC3=CSC=N3

InChI

InChI=1S/C20H17BrN2O3S2/c1-13(19(24)23-15-8-6-14(21)7-9-15)26-20(25)17-4-2-3-5-18(17)28-11-16-10-27-12-22-16/h2-10,12-13H,11H2,1H3,(H,23,24)