1-[2-[2-(1-adamantyl)ethyl]-4-methyl-3-(2-methylsulfanylethyl)-1-propanoyl-piperazin-2-yl]urea

Systemtic Name: 1-[2-[2-(1-adamantyl)ethyl]-4-methyl-3-(2-methylsulfanylethyl)-1-propanoyl-piperazin-2-yl]urea Openeye Name: [2-[2-(1-adamantyl)ethyl]-4-methyl-3-(2-methylsulfanylethyl)-1-propanoyl-piperazin-2-yl]urea CAS Name: [2-[2-(1-adamantyl)ethyl]-4-methyl-3-[2-(methylthio)ethyl]-1-(1-oxopropyl)-2-piperazinyl]urea IUPAC Name: [2-[2-(1-adamantyl)ethyl]-4-methyl-3-(2-methylsulfanylethyl)-1-propanoylpiperazin-2-yl]urea Traditional Name: [2-[2-(1-adamantyl)ethyl]-4-methyl-3-[2-(methylthio)ethyl]-1-propionyl-piperazin-2-yl]urea Formula: C24H42N4O2S MolecularWeight: 450.68088

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)N1CCN(C(C1(CCC23CC4CC(C2)CC(C4)C3)NC(=O)N)CCSC)C

Isomeric SMILES

CCC(=O)N1CCN(C(C1(CCC23CC4CC(C2)CC(C4)C3)NC(=O)N)CCSC)C

InChI

InChI=1S/C24H42N4O2S/c1-4-21(29)28-9-8-27(2)20(5-10-31-3)24(28,26-22(25)30)7-6-23-14-17-11-18(15-23)13-19(12-17)16-23/h17-20H,4-16H2,1-3H3,(H3,25,26,30)