[4-(2-pyridin-2-ylsulfanylethyl)phenyl] 4-(1H-imidazol-2-ylsulfanyl)piperidine-1-carboxylate

Systemtic Name: [4-(2-pyridin-2-ylsulfanylethyl)phenyl] 4-(1H-imidazol-2-ylsulfanyl)piperidine-1-carboxylate Openeye Name: [4-[2-(2-pyridylsulfanyl)ethyl]phenyl] 4-(1H-imidazol-2-ylsulfanyl)piperidine-1-carboxylate CAS Name: 4-(1H-imidazol-2-ylthio)-1-piperidinecarboxylic acid [4-[2-(2-pyridinylthio)ethyl]phenyl] ester IUPAC Name: [4-(2-pyridin-2-ylsulfanylethyl)phenyl] 4-(1H-imidazol-2-ylsulfanyl)piperidine-1-carboxylate Traditional Name: 4-(1H-imidazol-2-ylthio)piperidine-1-carboxylic acid [4-[2-(2-pyridylthio)ethyl]phenyl] ester Formula: C22H24N4O2S2 MolecularWeight: 440.58156

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1SC2=NC=CN2)C(=O)OC3=CC=C(C=C3)CCSC4=CC=CC=N4

Isomeric SMILES

C1CN(CCC1SC2=NC=CN2)C(=O)OC3=CC=C(C=C3)CCSC4=CC=CC=N4

InChI

InChI=1S/C22H24N4O2S2/c27-22(26-14-8-19(9-15-26)30-21-24-12-13-25-21)28-18-6-4-17(5-7-18)10-16-29-20-3-1-2-11-23-20/h1-7,11-13,19H,8-10,14-16H2,(H,24,25)