4-(1-adamantylcarbonyl)-N-[2-(phenylmethylsulfanyl)ethyl]piperazine-1-carboxamide

Systemtic Name: 4-(1-adamantylcarbonyl)-N-[2-(phenylmethylsulfanyl)ethyl]piperazine-1-carboxamide Openeye Name: 4-(adamantane-1-carbonyl)-N-(2-benzylsulfanylethyl)piperazine-1-carboxamide CAS Name: 4-[1-adamantyl(oxo)methyl]-N-[2-(phenylmethylthio)ethyl]-1-piperazinecarboxamide IUPAC Name: 4-(adamantane-1-carbonyl)-N-(2-benzylsulfanylethyl)piperazine-1-carboxamide Traditional Name: 4-(adamantane-1-carbonyl)-N-[2-(benzylthio)ethyl]piperazine-1-carboxamide Formula: C25H35N3O2S MolecularWeight: 441.6293

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)C23CC4CC(C2)CC(C4)C3)C(=O)NCCSCC5=CC=CC=C5

Isomeric SMILES

C1CN(CCN1C(=O)C23CC4CC(C2)CC(C4)C3)C(=O)NCCSCC5=CC=CC=C5

InChI

InChI=1S/C25H35N3O2S/c29-23(25-15-20-12-21(16-25)14-22(13-20)17-25)27-7-9-28(10-8-27)24(30)26-6-11-31-18-19-4-2-1-3-5-19/h1-5,20-22H,6-18H2,(H,26,30)