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

Systemtic Name: S-[2-[3-(2-cyclohexylethylcarbamoylamino)-4-methyl-1-(2-methylpropanoyl)piperazin-2-yl]ethyl] ethanethioate Openeye Name: S-[2-[3-(2-cyclohexylethylcarbamoylamino)-4-methyl-1-(2-methylpropanoyl)piperazin-2-yl]ethyl] ethanethioate CAS Name: ethanethioic acid S-[2-[3-[[(2-cyclohexylethylamino)-oxomethyl]amino]-4-methyl-1-(2-methyl-1-oxopropyl)-2-piperazinyl]ethyl] ester IUPAC Name: S-[2-[3-(2-cyclohexylethylcarbamoylamino)-4-methyl-1-(2-methylpropanoyl)piperazin-2-yl]ethyl] ethanethioate Traditional Name: ethanethioic acid S-[2-[3-(2-cyclohexylethylcarbamoylamino)-1-isobutyryl-4-methyl-piperazin-2-yl]ethyl] ester Formula: C22H40N4O3S MolecularWeight: 440.643

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H40N4O3S/c1-16(2)21(28)26-14-13-25(4)20(19(26)11-15-30-17(3)27)24-22(29)23-12-10-18-8-6-5-7-9-18/h16,18-20H,5-15H2,1-4H3,(H2,23,24,29)