S-[2-[4-cyclohexyl-3-(2-cyclohexylethylcarbamoylamino)-1-propanoyl-piperazin-2-yl]ethyl] ethanethioate

Systemtic Name: S-[2-[4-cyclohexyl-3-(2-cyclohexylethylcarbamoylamino)-1-propanoyl-piperazin-2-yl]ethyl] ethanethioate Openeye Name: S-[2-[4-cyclohexyl-3-(2-cyclohexylethylcarbamoylamino)-1-propanoyl-piperazin-2-yl]ethyl] ethanethioate CAS Name: ethanethioic acid S-[2-[4-cyclohexyl-3-[[(2-cyclohexylethylamino)-oxomethyl]amino]-1-(1-oxopropyl)-2-piperazinyl]ethyl] ester IUPAC Name: S-[2-[4-cyclohexyl-3-(2-cyclohexylethylcarbamoylamino)-1-propanoylpiperazin-2-yl]ethyl] ethanethioate Traditional Name: ethanethioic acid S-[2-[4-cyclohexyl-3-(2-cyclohexylethylcarbamoylamino)-1-propionyl-piperazin-2-yl]ethyl] ester Formula: C26H46N4O3S MolecularWeight: 494.73344

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)N1CCN(C(C1CCSC(=O)C)NC(=O)NCCC2CCCCC2)C3CCCCC3

Isomeric SMILES

CCC(=O)N1CCN(C(C1CCSC(=O)C)NC(=O)NCCC2CCCCC2)C3CCCCC3

InChI

InChI=1S/C26H46N4O3S/c1-3-24(32)30-18-17-29(22-12-8-5-9-13-22)25(23(30)15-19-34-20(2)31)28-26(33)27-16-14-21-10-6-4-7-11-21/h21-23,25H,3-19H2,1-2H3,(H2,27,28,33)