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

Systemtic Name: tert-butyl 4-[4-(2-quinolin-4-ylsulfanylethanoyl)phenyl]piperazine-1-carboxylate Openeye Name: tert-butyl 4-[4-[2-(4-quinolylsulfanyl)acetyl]phenyl]piperazine-1-carboxylate CAS Name: 4-[4-[1-oxo-2-(4-quinolinylthio)ethyl]phenyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[4-(2-quinolin-4-ylsulfanylacetyl)phenyl]piperazine-1-carboxylate Traditional Name: 4-[4-[2-(4-quinolylthio)acetyl]phenyl]piperazine-1-carboxylic acid tert-butyl ester Formula: C26H29N3O3S MolecularWeight: 463.59176

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H29N3O3S/c1-26(2,3)32-25(31)29-16-14-28(15-17-29)20-10-8-19(9-11-20)23(30)18-33-24-12-13-27-22-7-5-4-6-21(22)24/h4-13H,14-18H2,1-3H3