methyl 4-[3-(1-adamantylsulfanyl)-2-methyl-phenyl]piperazine-1-carboxylate

Systemtic Name: methyl 4-[3-(1-adamantylsulfanyl)-2-methyl-phenyl]piperazine-1-carboxylate Openeye Name: methyl 4-[3-(1-adamantylsulfanyl)-2-methyl-phenyl]piperazine-1-carboxylate CAS Name: 4-[3-(1-adamantylthio)-2-methylphenyl]-1-piperazinecarboxylic acid methyl ester IUPAC Name: methyl 4-[3-(1-adamantylsulfanyl)-2-methylphenyl]piperazine-1-carboxylate Traditional Name: 4-[3-(1-adamantylthio)-2-methyl-phenyl]piperazine-1-carboxylic acid methyl ester Formula: C23H32N2O2S MolecularWeight: 400.57738

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1SC23CC4CC(C2)CC(C4)C3)N5CCN(CC5)C(=O)OC

Isomeric SMILES

CC1=C(C=CC=C1SC23CC4CC(C2)CC(C4)C3)N5CCN(CC5)C(=O)OC

InChI

InChI=1S/C23H32N2O2S/c1-16-20(24-6-8-25(9-7-24)22(26)27-2)4-3-5-21(16)28-23-13-17-10-18(14-23)12-19(11-17)15-23/h3-5,17-19H,6-15H2,1-2H3