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

Systemtic Name: methyl 4-[4-(2-quinolin-4-ylsulfanylethanoyl)phenyl]piperazine-1-carboxylate Openeye Name: methyl 4-[4-[2-(4-quinolylsulfanyl)acetyl]phenyl]piperazine-1-carboxylate CAS Name: 4-[4-[1-oxo-2-(4-quinolinylthio)ethyl]phenyl]-1-piperazinecarboxylic acid methyl ester IUPAC Name: methyl 4-[4-(2-quinolin-4-ylsulfanylacetyl)phenyl]piperazine-1-carboxylate Traditional Name: 4-[4-[2-(4-quinolylthio)acetyl]phenyl]piperazine-1-carboxylic acid methyl ester Formula: C23H23N3O3S MolecularWeight: 421.51202

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H23N3O3S/c1-29-23(28)26-14-12-25(13-15-26)18-8-6-17(7-9-18)21(27)16-30-22-10-11-24-20-5-3-2-4-19(20)22/h2-11H,12-16H2,1H3