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

Systemtic Name: 1-[3-(2-cyclohexylethyl)-4-methyl-3-(2-methylsulfanylethyl)-1-propanoyl-piperazin-2-yl]urea Openeye Name: [3-(2-cyclohexylethyl)-4-methyl-3-(2-methylsulfanylethyl)-1-propanoyl-piperazin-2-yl]urea CAS Name: [3-(2-cyclohexylethyl)-4-methyl-3-[2-(methylthio)ethyl]-1-(1-oxopropyl)-2-piperazinyl]urea IUPAC Name: [3-(2-cyclohexylethyl)-4-methyl-3-(2-methylsulfanylethyl)-1-propanoylpiperazin-2-yl]urea Traditional Name: [3-(2-cyclohexylethyl)-4-methyl-3-[2-(methylthio)ethyl]-1-propionyl-piperazin-2-yl]urea Formula: C20H38N4O2S MolecularWeight: 398.60632

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)N1CCN(C(C1NC(=O)N)(CCC2CCCCC2)CCSC)C

Isomeric SMILES

CCC(=O)N1CCN(C(C1NC(=O)N)(CCC2CCCCC2)CCSC)C

InChI

InChI=1S/C20H38N4O2S/c1-4-17(25)24-14-13-23(2)20(12-15-27-3,18(24)22-19(21)26)11-10-16-8-6-5-7-9-16/h16,18H,4-15H2,1-3H3,(H3,21,22,26)