S-[2-[3-(2-cyclohexylethylcarbamoylamino)-1-propanoyl-piperidin-2-yl]ethyl] ethanethioate

Systemtic Name: S-[2-[3-(2-cyclohexylethylcarbamoylamino)-1-propanoyl-piperidin-2-yl]ethyl] ethanethioate Openeye Name: S-[2-[3-(2-cyclohexylethylcarbamoylamino)-1-propanoyl-2-piperidyl]ethyl] ethanethioate CAS Name: ethanethioic acid S-[2-[3-[[(2-cyclohexylethylamino)-oxomethyl]amino]-1-(1-oxopropyl)-2-piperidinyl]ethyl] ester IUPAC Name: S-[2-[3-(2-cyclohexylethylcarbamoylamino)-1-propanoylpiperidin-2-yl]ethyl] ethanethioate Traditional Name: ethanethioic acid S-[2-[3-(2-cyclohexylethylcarbamoylamino)-1-propionyl-2-piperidyl]ethyl] ester Formula: C21H37N3O3S MolecularWeight: 411.60178

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)N1CCCC(C1CCSC(=O)C)NC(=O)NCCC2CCCCC2

Isomeric SMILES

CCC(=O)N1CCCC(C1CCSC(=O)C)NC(=O)NCCC2CCCCC2

InChI

InChI=1S/C21H37N3O3S/c1-3-20(26)24-14-7-10-18(19(24)12-15-28-16(2)25)23-21(27)22-13-11-17-8-5-4-6-9-17/h17-19H,3-15H2,1-2H3,(H2,22,23,27)