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

Systemtic Name: tert-butyl 4-[2-[4-(2-quinolin-4-ylsulfanylethanoyl)phenyl]ethyl]piperazine-1-carboxylate Openeye Name: tert-butyl 4-[2-[4-[2-(4-quinolylsulfanyl)acetyl]phenyl]ethyl]piperazine-1-carboxylate CAS Name: 4-[2-[4-[1-oxo-2-(4-quinolinylthio)ethyl]phenyl]ethyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[2-[4-(2-quinolin-4-ylsulfanylacetyl)phenyl]ethyl]piperazine-1-carboxylate Traditional Name: 4-[2-[4-[2-(4-quinolylthio)acetyl]phenyl]ethyl]piperazine-1-carboxylic acid tert-butyl ester Formula: C28H33N3O3S MolecularWeight: 491.64492

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCN(CC1)CCC2=CC=C(C=C2)C(=O)CSC3=CC=NC4=CC=CC=C43

Isomeric SMILES

CC(C)(C)OC(=O)N1CCN(CC1)CCC2=CC=C(C=C2)C(=O)CSC3=CC=NC4=CC=CC=C43

InChI

InChI=1S/C28H33N3O3S/c1-28(2,3)34-27(33)31-18-16-30(17-19-31)15-13-21-8-10-22(11-9-21)25(32)20-35-26-12-14-29-24-7-5-4-6-23(24)26/h4-12,14H,13,15-20H2,1-3H3