S-[2-[3-(2-cyclohexylethylcarbamoylamino)-1-ethanoyl-4-methyl-piperazin-2-yl]ethyl] ethanethioate

Systemtic Name: S-[2-[3-(2-cyclohexylethylcarbamoylamino)-1-ethanoyl-4-methyl-piperazin-2-yl]ethyl] ethanethioate Openeye Name: S-[2-[1-acetyl-3-(2-cyclohexylethylcarbamoylamino)-4-methyl-piperazin-2-yl]ethyl] ethanethioate CAS Name: ethanethioic acid S-[2-[1-acetyl-3-[[(2-cyclohexylethylamino)-oxomethyl]amino]-4-methyl-2-piperazinyl]ethyl] ester IUPAC Name: S-[2-[1-acetyl-3-(2-cyclohexylethylcarbamoylamino)-4-methylpiperazin-2-yl]ethyl] ethanethioate Traditional Name: ethanethioic acid S-[2-[1-acetyl-3-(2-cyclohexylethylcarbamoylamino)-4-methyl-piperazin-2-yl]ethyl] ester Formula: C20H36N4O3S MolecularWeight: 412.58984

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCN(C(C1CCSC(=O)C)NC(=O)NCCC2CCCCC2)C

Isomeric SMILES

CC(=O)N1CCN(C(C1CCSC(=O)C)NC(=O)NCCC2CCCCC2)C

InChI

InChI=1S/C20H36N4O3S/c1-15(25)24-13-12-23(3)19(18(24)10-14-28-16(2)26)22-20(27)21-11-9-17-7-5-4-6-8-17/h17-19H,4-14H2,1-3H3,(H2,21,22,27)