[4-[2-(1-methylimidazol-2-yl)sulfanylethyl]phenyl] 4-pyridin-2-ylpiperazine-1-carboxylate

Systemtic Name: [4-[2-(1-methylimidazol-2-yl)sulfanylethyl]phenyl] 4-pyridin-2-ylpiperazine-1-carboxylate Openeye Name: [4-[2-(1-methylimidazol-2-yl)sulfanylethyl]phenyl] 4-(2-pyridyl)piperazine-1-carboxylate CAS Name: 4-(2-pyridinyl)-1-piperazinecarboxylic acid [4-[2-[(1-methyl-2-imidazolyl)thio]ethyl]phenyl] ester IUPAC Name: [4-[2-(1-methylimidazol-2-yl)sulfanylethyl]phenyl] 4-pyridin-2-ylpiperazine-1-carboxylate Traditional Name: 4-(2-pyridyl)piperazine-1-carboxylic acid [4-[2-[(1-methylimidazol-2-yl)thio]ethyl]phenyl] ester Formula: C22H25N5O2S MolecularWeight: 423.5312

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C=CN=C1SCCC2=CC=C(C=C2)OC(=O)N3CCN(CC3)C4=CC=CC=N4

Isomeric SMILES

CN1C=CN=C1SCCC2=CC=C(C=C2)OC(=O)N3CCN(CC3)C4=CC=CC=N4

InChI

InChI=1S/C22H25N5O2S/c1-25-12-11-24-21(25)30-17-9-18-5-7-19(8-6-18)29-22(28)27-15-13-26(14-16-27)20-4-2-3-10-23-20/h2-8,10-12H,9,13-17H2,1H3