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

Systemtic Name: 1-[3-[2-(1-adamantyl)ethyl]-1-methyl-4-propanoyl-piperazin-2-yl]-3-(2-sulfanylethyl)urea Openeye Name: 1-[3-[2-(1-adamantyl)ethyl]-1-methyl-4-propanoyl-piperazin-2-yl]-3-(2-sulfanylethyl)urea CAS Name: 1-[3-[2-(1-adamantyl)ethyl]-1-methyl-4-(1-oxopropyl)-2-piperazinyl]-3-(2-mercaptoethyl)urea IUPAC Name: 1-[3-[2-(1-adamantyl)ethyl]-1-methyl-4-propanoylpiperazin-2-yl]-3-(2-sulfanylethyl)urea Traditional Name: 1-[3-[2-(1-adamantyl)ethyl]-1-methyl-4-propionyl-piperazin-2-yl]-3-(2-mercaptoethyl)urea Formula: C23H40N4O2S MolecularWeight: 436.6543

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)N1CCN(C(C1CCC23CC4CC(C2)CC(C4)C3)NC(=O)NCCS)C

Isomeric SMILES

CCC(=O)N1CCN(C(C1CCC23CC4CC(C2)CC(C4)C3)NC(=O)NCCS)C

InChI

InChI=1S/C23H40N4O2S/c1-3-20(28)27-8-7-26(2)21(25-22(29)24-6-9-30)19(27)4-5-23-13-16-10-17(14-23)12-18(11-16)15-23/h16-19,21,30H,3-15H2,1-2H3,(H2,24,25,29)