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

Systemtic Name: phenyl 4-[4-(2-quinolin-4-ylsulfanylethanoyl)phenyl]piperazine-1-carboxylate Openeye Name: phenyl 4-[4-[2-(4-quinolylsulfanyl)acetyl]phenyl]piperazine-1-carboxylate CAS Name: 4-[4-[1-oxo-2-(4-quinolinylthio)ethyl]phenyl]-1-piperazinecarboxylic acid phenyl ester IUPAC Name: phenyl 4-[4-(2-quinolin-4-ylsulfanylacetyl)phenyl]piperazine-1-carboxylate Traditional Name: 4-[4-[2-(4-quinolylthio)acetyl]phenyl]piperazine-1-carboxylic acid phenyl ester Formula: C28H25N3O3S MolecularWeight: 483.5814

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=C(C=C2)C(=O)CSC3=CC=NC4=CC=CC=C43)C(=O)OC5=CC=CC=C5

Isomeric SMILES

C1CN(CCN1C2=CC=C(C=C2)C(=O)CSC3=CC=NC4=CC=CC=C43)C(=O)OC5=CC=CC=C5

InChI

InChI=1S/C28H25N3O3S/c32-26(20-35-27-14-15-29-25-9-5-4-8-24(25)27)21-10-12-22(13-11-21)30-16-18-31(19-17-30)28(33)34-23-6-2-1-3-7-23/h1-15H,16-20H2