S-[2-[4-methyl-1-(3-methylbutanoyl)-3-(phenethylcarbamoylamino)piperazin-2-yl]ethyl] ethanethioate

Systemtic Name: S-[2-[4-methyl-1-(3-methylbutanoyl)-3-(phenethylcarbamoylamino)piperazin-2-yl]ethyl] ethanethioate Openeye Name: S-[2-[4-methyl-1-(3-methylbutanoyl)-3-(phenethylcarbamoylamino)piperazin-2-yl]ethyl] ethanethioate CAS Name: ethanethioic acid S-[2-[4-methyl-1-(3-methyl-1-oxobutyl)-3-[[oxo-(phenethylamino)methyl]amino]-2-piperazinyl]ethyl] ester IUPAC Name: S-[2-[4-methyl-1-(3-methylbutanoyl)-3-(phenethylcarbamoylamino)piperazin-2-yl]ethyl] ethanethioate Traditional Name: ethanethioic acid S-[2-[1-isovaleryl-4-methyl-3-(phenethylcarbamoylamino)piperazin-2-yl]ethyl] ester Formula: C23H36N4O3S MolecularWeight: 448.62194

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)N1CCN(C(C1CCSC(=O)C)NC(=O)NCCC2=CC=CC=C2)C

Isomeric SMILES

CC(C)CC(=O)N1CCN(C(C1CCSC(=O)C)NC(=O)NCCC2=CC=CC=C2)C

InChI

InChI=1S/C23H36N4O3S/c1-17(2)16-21(29)27-14-13-26(4)22(20(27)11-15-31-18(3)28)25-23(30)24-12-10-19-8-6-5-7-9-19/h5-9,17,20,22H,10-16H2,1-4H3,(H2,24,25,30)