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

Systemtic Name: S-[2-[3-(2-cyclohexylethylcarbamoylamino)-1-cyclopropylcarbonyl-4-methyl-piperazin-2-yl]ethyl] ethanethioate Openeye Name: S-[2-[3-(2-cyclohexylethylcarbamoylamino)-1-(cyclopropanecarbonyl)-4-methyl-piperazin-2-yl]ethyl] ethanethioate CAS Name: ethanethioic acid S-[2-[3-[[(2-cyclohexylethylamino)-oxomethyl]amino]-1-[cyclopropyl(oxo)methyl]-4-methyl-2-piperazinyl]ethyl] ester IUPAC Name: S-[2-[3-(2-cyclohexylethylcarbamoylamino)-1-(cyclopropanecarbonyl)-4-methylpiperazin-2-yl]ethyl] ethanethioate Traditional Name: ethanethioic acid S-[2-[3-(2-cyclohexylethylcarbamoylamino)-1-(cyclopropanecarbonyl)-4-methyl-piperazin-2-yl]ethyl] ester Formula: C22H38N4O3S MolecularWeight: 438.62712

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SCCC1C(N(CCN1C(=O)C2CC2)C)NC(=O)NCCC3CCCCC3

Isomeric SMILES

CC(=O)SCCC1C(N(CCN1C(=O)C2CC2)C)NC(=O)NCCC3CCCCC3

InChI

InChI=1S/C22H38N4O3S/c1-16(27)30-15-11-19-20(25(2)13-14-26(19)21(28)18-8-9-18)24-22(29)23-12-10-17-6-4-3-5-7-17/h17-20H,3-15H2,1-2H3,(H2,23,24,29)