S-[3-[3-(2-cyclohexylethylcarbamoylamino)-4-methyl-1-propanoyl-piperazin-2-yl]propyl] ethanethioate

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)N1CCN(C(C1CCCSC(=O)C)NC(=O)NCCC2CCCCC2)C

Isomeric SMILES

CCC(=O)N1CCN(C(C1CCCSC(=O)C)NC(=O)NCCC2CCCCC2)C

InChI

InChI=1S/C22H40N4O3S/c1-4-20(28)26-15-14-25(3)21(19(26)11-8-16-30-17(2)27)24-22(29)23-13-12-18-9-6-5-7-10-18/h18-19,21H,4-16H2,1-3H3,(H2,23,24,29)