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

Systemtic Name: ethyl 4-[4-(2-quinolin-4-ylsulfanylethanoyl)phenyl]piperazine-1-carboxylate Openeye Name: ethyl 4-[4-[2-(4-quinolylsulfanyl)acetyl]phenyl]piperazine-1-carboxylate CAS Name: 4-[4-[1-oxo-2-(4-quinolinylthio)ethyl]phenyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[4-(2-quinolin-4-ylsulfanylacetyl)phenyl]piperazine-1-carboxylate Traditional Name: 4-[4-[2-(4-quinolylthio)acetyl]phenyl]piperazine-1-carboxylic acid ethyl ester Formula: C24H25N3O3S MolecularWeight: 435.5386

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H25N3O3S/c1-2-30-24(29)27-15-13-26(14-16-27)19-9-7-18(8-10-19)22(28)17-31-23-11-12-25-21-6-4-3-5-20(21)23/h3-12H,2,13-17H2,1H3