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

Systemtic Name: S-[2-[3-(2-cyclohexylethylcarbamoylamino)-1-cyclopentylcarbonyl-4-methyl-piperazin-2-yl]ethyl] ethanethioate Openeye Name: S-[2-[3-(2-cyclohexylethylcarbamoylamino)-1-(cyclopentanecarbonyl)-4-methyl-piperazin-2-yl]ethyl] ethanethioate CAS Name: ethanethioic acid S-[2-[3-[[(2-cyclohexylethylamino)-oxomethyl]amino]-1-[cyclopentyl(oxo)methyl]-4-methyl-2-piperazinyl]ethyl] ester IUPAC Name: S-[2-[3-(2-cyclohexylethylcarbamoylamino)-1-(cyclopentanecarbonyl)-4-methylpiperazin-2-yl]ethyl] ethanethioate Traditional Name: ethanethioic acid S-[2-[3-(2-cyclohexylethylcarbamoylamino)-1-(cyclopentanecarbonyl)-4-methyl-piperazin-2-yl]ethyl] ester Formula: C24H42N4O3S MolecularWeight: 466.68028

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SCCC1C(N(CCN1C(=O)C2CCCC2)C)NC(=O)NCCC3CCCCC3

Isomeric SMILES

CC(=O)SCCC1C(N(CCN1C(=O)C2CCCC2)C)NC(=O)NCCC3CCCCC3

InChI

InChI=1S/C24H42N4O3S/c1-18(29)32-17-13-21-22(26-24(31)25-14-12-19-8-4-3-5-9-19)27(2)15-16-28(21)23(30)20-10-6-7-11-20/h19-22H,3-17H2,1-2H3,(H2,25,26,31)