[4-[(4-methylpyridin-2-yl)methyl]phenyl] 4-(1H-imidazol-2-ylsulfanylmethyl)piperidine-1-carboxylate

Systemtic Name: [4-[(4-methylpyridin-2-yl)methyl]phenyl] 4-(1H-imidazol-2-ylsulfanylmethyl)piperidine-1-carboxylate Openeye Name: [4-[(4-methyl-2-pyridyl)methyl]phenyl] 4-(1H-imidazol-2-ylsulfanylmethyl)piperidine-1-carboxylate CAS Name: 4-[(1H-imidazol-2-ylthio)methyl]-1-piperidinecarboxylic acid [4-[(4-methyl-2-pyridinyl)methyl]phenyl] ester IUPAC Name: [4-[(4-methylpyridin-2-yl)methyl]phenyl] 4-(1H-imidazol-2-ylsulfanylmethyl)piperidine-1-carboxylate Traditional Name: 4-[(1H-imidazol-2-ylthio)methyl]piperidine-1-carboxylic acid [4-[(4-methyl-2-pyridyl)methyl]phenyl] ester Formula: C23H26N4O2S MolecularWeight: 422.54314

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC=C1)CC2=CC=C(C=C2)OC(=O)N3CCC(CC3)CSC4=NC=CN4

Isomeric SMILES

CC1=CC(=NC=C1)CC2=CC=C(C=C2)OC(=O)N3CCC(CC3)CSC4=NC=CN4

InChI

InChI=1S/C23H26N4O2S/c1-17-6-9-24-20(14-17)15-18-2-4-21(5-3-18)29-23(28)27-12-7-19(8-13-27)16-30-22-25-10-11-26-22/h2-6,9-11,14,19H,7-8,12-13,15-16H2,1H3,(H,25,26)