(3-methylphenyl)methyl 4-[[2-(4-chlorophenyl)sulfanylphenyl]methyl]piperazine-1-carboxylate

Systemtic Name: (3-methylphenyl)methyl 4-[[2-(4-chlorophenyl)sulfanylphenyl]methyl]piperazine-1-carboxylate Openeye Name: m-tolylmethyl 4-[[2-(4-chlorophenyl)sulfanylphenyl]methyl]piperazine-1-carboxylate CAS Name: 4-[[2-[(4-chlorophenyl)thio]phenyl]methyl]-1-piperazinecarboxylic acid (3-methylphenyl)methyl ester IUPAC Name: (3-methylphenyl)methyl 4-[[2-(4-chlorophenyl)sulfanylphenyl]methyl]piperazine-1-carboxylate Traditional Name: 4-[2-[(4-chlorophenyl)thio]benzyl]piperazine-1-carboxylic acid (3-methylbenzyl) ester Formula: C26H27ClN2O2S MolecularWeight: 467.02278

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H27ClN2O2S/c1-20-5-4-6-21(17-20)19-31-26(30)29-15-13-28(14-16-29)18-22-7-2-3-8-25(22)32-24-11-9-23(27)10-12-24/h2-12,17H,13-16,18-19H2,1H3