[4-(2-pyridin-2-ylsulfanylethyl)phenyl] 4-pyridin-2-ylpiperazine-1-carboxylate

Systemtic Name: [4-(2-pyridin-2-ylsulfanylethyl)phenyl] 4-pyridin-2-ylpiperazine-1-carboxylate Openeye Name: [4-[2-(2-pyridylsulfanyl)ethyl]phenyl] 4-(2-pyridyl)piperazine-1-carboxylate CAS Name: 4-(2-pyridinyl)-1-piperazinecarboxylic acid [4-[2-(2-pyridinylthio)ethyl]phenyl] ester IUPAC Name: [4-(2-pyridin-2-ylsulfanylethyl)phenyl] 4-pyridin-2-ylpiperazine-1-carboxylate Traditional Name: 4-(2-pyridyl)piperazine-1-carboxylic acid [4-[2-(2-pyridylthio)ethyl]phenyl] ester Formula: C23H24N4O2S MolecularWeight: 420.52726

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=N2)C(=O)OC3=CC=C(C=C3)CCSC4=CC=CC=N4

Isomeric SMILES

C1CN(CCN1C2=CC=CC=N2)C(=O)OC3=CC=C(C=C3)CCSC4=CC=CC=N4

InChI

InChI=1S/C23H24N4O2S/c28-23(27-16-14-26(15-17-27)21-5-1-3-12-24-21)29-20-9-7-19(8-10-20)11-18-30-22-6-2-4-13-25-22/h1-10,12-13H,11,14-18H2