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

Systemtic Name: (phenylmethyl) 4-[4-(2-quinolin-4-ylsulfanylethanoyl)phenyl]piperazine-1-carboxylate Openeye Name: benzyl 4-[4-[2-(4-quinolylsulfanyl)acetyl]phenyl]piperazine-1-carboxylate CAS Name: 4-[4-[1-oxo-2-(4-quinolinylthio)ethyl]phenyl]-1-piperazinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 4-[4-(2-quinolin-4-ylsulfanylacetyl)phenyl]piperazine-1-carboxylate Traditional Name: 4-[4-[2-(4-quinolylthio)acetyl]phenyl]piperazine-1-carboxylic acid benzyl ester Formula: C29H27N3O3S MolecularWeight: 497.60798

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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)OCC5=CC=CC=C5

Isomeric SMILES

C1CN(CCN1C2=CC=C(C=C2)C(=O)CSC3=CC=NC4=CC=CC=C43)C(=O)OCC5=CC=CC=C5

InChI

InChI=1S/C29H27N3O3S/c33-27(21-36-28-14-15-30-26-9-5-4-8-25(26)28)23-10-12-24(13-11-23)31-16-18-32(19-17-31)29(34)35-20-22-6-2-1-3-7-22/h1-15H,16-21H2