(6-methylpyridin-2-yl)methyl 4-[[2-(4-chlorophenyl)sulfanylphenyl]methyl]piperazine-1-carboxylate

Systemtic Name: (6-methylpyridin-2-yl)methyl 4-[[2-(4-chlorophenyl)sulfanylphenyl]methyl]piperazine-1-carboxylate Openeye Name: (6-methyl-2-pyridyl)methyl 4-[[2-(4-chlorophenyl)sulfanylphenyl]methyl]piperazine-1-carboxylate CAS Name: 4-[[2-[(4-chlorophenyl)thio]phenyl]methyl]-1-piperazinecarboxylic acid (6-methyl-2-pyridinyl)methyl ester IUPAC Name: (6-methylpyridin-2-yl)methyl 4-[[2-(4-chlorophenyl)sulfanylphenyl]methyl]piperazine-1-carboxylate Traditional Name: 4-[2-[(4-chlorophenyl)thio]benzyl]piperazine-1-carboxylic acid (6-methyl-2-pyridyl)methyl ester Formula: C25H26ClN3O2S MolecularWeight: 468.01084

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=CC=C1)COC(=O)N2CCN(CC2)CC3=CC=CC=C3SC4=CC=C(C=C4)Cl

Isomeric SMILES

CC1=NC(=CC=C1)COC(=O)N2CCN(CC2)CC3=CC=CC=C3SC4=CC=C(C=C4)Cl

InChI

InChI=1S/C25H26ClN3O2S/c1-19-5-4-7-22(27-19)18-31-25(30)29-15-13-28(14-16-29)17-20-6-2-3-8-24(20)32-23-11-9-21(26)10-12-23/h2-12H,13-18H2,1H3