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

Systemtic Name: 2-methylpropyl 4-[4-(2-quinolin-4-ylsulfanylethanoyl)phenyl]piperazine-1-carboxylate Openeye Name: isobutyl 4-[4-[2-(4-quinolylsulfanyl)acetyl]phenyl]piperazine-1-carboxylate CAS Name: 4-[4-[1-oxo-2-(4-quinolinylthio)ethyl]phenyl]-1-piperazinecarboxylic acid 2-methylpropyl ester IUPAC Name: 2-methylpropyl 4-[4-(2-quinolin-4-ylsulfanylacetyl)phenyl]piperazine-1-carboxylate Traditional Name: 4-[4-[2-(4-quinolylthio)acetyl]phenyl]piperazine-1-carboxylic acid isobutyl ester Formula: C26H29N3O3S MolecularWeight: 463.59176

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H29N3O3S/c1-19(2)17-32-26(31)29-15-13-28(14-16-29)21-9-7-20(8-10-21)24(30)18-33-25-11-12-27-23-6-4-3-5-22(23)25/h3-12,19H,13-18H2,1-2H3