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

Systemtic Name: methyl 4-[4-(1-adamantylsulfanyl)phenyl]piperazine-1-carboxylate Openeye Name: methyl 4-[4-(1-adamantylsulfanyl)phenyl]piperazine-1-carboxylate CAS Name: 4-[4-(1-adamantylthio)phenyl]-1-piperazinecarboxylic acid methyl ester IUPAC Name: methyl 4-[4-(1-adamantylsulfanyl)phenyl]piperazine-1-carboxylate Traditional Name: 4-[4-(1-adamantylthio)phenyl]piperazine-1-carboxylic acid methyl ester Formula: C22H30N2O2S MolecularWeight: 386.5508

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)N1CCN(CC1)C2=CC=C(C=C2)SC34CC5CC(C3)CC(C5)C4

Isomeric SMILES

COC(=O)N1CCN(CC1)C2=CC=C(C=C2)SC34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C22H30N2O2S/c1-26-21(25)24-8-6-23(7-9-24)19-2-4-20(5-3-19)27-22-13-16-10-17(14-22)12-18(11-16)15-22/h2-5,16-18H,6-15H2,1H3