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

Systemtic Name: S-[2-[4-ethyl-3-(phenethylcarbamoylamino)-1-(3-phenylpropanoyl)piperazin-2-yl]ethyl] ethanethioate Openeye Name: S-[2-[4-ethyl-3-(phenethylcarbamoylamino)-1-(3-phenylpropanoyl)piperazin-2-yl]ethyl] ethanethioate CAS Name: ethanethioic acid S-[2-[4-ethyl-3-[[oxo-(phenethylamino)methyl]amino]-1-(1-oxo-3-phenylpropyl)-2-piperazinyl]ethyl] ester IUPAC Name: S-[2-[4-ethyl-3-(phenethylcarbamoylamino)-1-(3-phenylpropanoyl)piperazin-2-yl]ethyl] ethanethioate Traditional Name: ethanethioic acid S-[2-[4-ethyl-1-hydrocinnamoyl-3-(phenethylcarbamoylamino)piperazin-2-yl]ethyl] ester Formula: C28H38N4O3S MolecularWeight: 510.69132

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(C(C1NC(=O)NCCC2=CC=CC=C2)CCSC(=O)C)C(=O)CCC3=CC=CC=C3

Isomeric SMILES

CCN1CCN(C(C1NC(=O)NCCC2=CC=CC=C2)CCSC(=O)C)C(=O)CCC3=CC=CC=C3

InChI

InChI=1S/C28H38N4O3S/c1-3-31-19-20-32(26(34)15-14-23-10-6-4-7-11-23)25(17-21-36-22(2)33)27(31)30-28(35)29-18-16-24-12-8-5-9-13-24/h4-13,25,27H,3,14-21H2,1-2H3,(H2,29,30,35)