tert-butyl 4-[2-bromanyl-4-(2-quinolin-4-ylsulfanylethanoyl)phenyl]piperazine-1-carboxylate

Systemtic Name: tert-butyl 4-[2-bromanyl-4-(2-quinolin-4-ylsulfanylethanoyl)phenyl]piperazine-1-carboxylate Openeye Name: tert-butyl 4-[2-bromo-4-[2-(4-quinolylsulfanyl)acetyl]phenyl]piperazine-1-carboxylate CAS Name: 4-[2-bromo-4-[1-oxo-2-(4-quinolinylthio)ethyl]phenyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[2-bromo-4-(2-quinolin-4-ylsulfanylacetyl)phenyl]piperazine-1-carboxylate Traditional Name: 4-[2-bromo-4-[2-(4-quinolylthio)acetyl]phenyl]piperazine-1-carboxylic acid tert-butyl ester Formula: C26H28BrN3O3S MolecularWeight: 542.48782

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCN(CC1)C2=C(C=C(C=C2)C(=O)CSC3=CC=NC4=CC=CC=C43)Br

Isomeric SMILES

CC(C)(C)OC(=O)N1CCN(CC1)C2=C(C=C(C=C2)C(=O)CSC3=CC=NC4=CC=CC=C43)Br

InChI

InChI=1S/C26H28BrN3O3S/c1-26(2,3)33-25(32)30-14-12-29(13-15-30)22-9-8-18(16-20(22)27)23(31)17-34-24-10-11-28-21-7-5-4-6-19(21)24/h4-11,16H,12-15,17H2,1-3H3