tert-butyl 4-[4-[2-(6-fluoranylquinolin-4-yl)sulfanylethanoyl]phenyl]piperazine-1-carboxylate

Systemtic Name: tert-butyl 4-[4-[2-(6-fluoranylquinolin-4-yl)sulfanylethanoyl]phenyl]piperazine-1-carboxylate Openeye Name: tert-butyl 4-[4-[2-[(6-fluoro-4-quinolyl)sulfanyl]acetyl]phenyl]piperazine-1-carboxylate CAS Name: 4-[4-[2-[(6-fluoro-4-quinolinyl)thio]-1-oxoethyl]phenyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[4-[2-(6-fluoroquinolin-4-yl)sulfanylacetyl]phenyl]piperazine-1-carboxylate Traditional Name: 4-[4-[2-[(6-fluoro-4-quinolyl)thio]acetyl]phenyl]piperazine-1-carboxylic acid tert-butyl ester Formula: C26H28FN3O3S MolecularWeight: 481.582223

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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=C4C=C(C=CC4=NC=C3)F

Isomeric SMILES

CC(C)(C)OC(=O)N1CCN(CC1)C2=CC=C(C=C2)C(=O)CSC3=C4C=C(C=CC4=NC=C3)F

InChI

InChI=1S/C26H28FN3O3S/c1-26(2,3)33-25(32)30-14-12-29(13-15-30)20-7-4-18(5-8-20)23(31)17-34-24-10-11-28-22-9-6-19(27)16-21(22)24/h4-11,16H,12-15,17H2,1-3H3