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

Systemtic Name: S-[2-[3-(2-cyclohexylethylcarbamoylamino)-4-methyl-1-(3-phenylpropanoyl)piperazin-2-yl]ethyl] ethanethioate Openeye Name: S-[2-[3-(2-cyclohexylethylcarbamoylamino)-4-methyl-1-(3-phenylpropanoyl)piperazin-2-yl]ethyl] ethanethioate CAS Name: ethanethioic acid S-[2-[3-[[(2-cyclohexylethylamino)-oxomethyl]amino]-4-methyl-1-(1-oxo-3-phenylpropyl)-2-piperazinyl]ethyl] ester IUPAC Name: S-[2-[3-(2-cyclohexylethylcarbamoylamino)-4-methyl-1-(3-phenylpropanoyl)piperazin-2-yl]ethyl] ethanethioate Traditional Name: ethanethioic acid S-[2-[3-(2-cyclohexylethylcarbamoylamino)-1-hydrocinnamoyl-4-methyl-piperazin-2-yl]ethyl] ester Formula: C27H42N4O3S MolecularWeight: 502.71238

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SCCC1C(N(CCN1C(=O)CCC2=CC=CC=C2)C)NC(=O)NCCC3CCCCC3

Isomeric SMILES

CC(=O)SCCC1C(N(CCN1C(=O)CCC2=CC=CC=C2)C)NC(=O)NCCC3CCCCC3

InChI

InChI=1S/C27H42N4O3S/c1-21(32)35-20-16-24-26(29-27(34)28-17-15-23-11-7-4-8-12-23)30(2)18-19-31(24)25(33)14-13-22-9-5-3-6-10-22/h3,5-6,9-10,23-24,26H,4,7-8,11-20H2,1-2H3,(H2,28,29,34)