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

Systemtic Name: S-[2-[4-methyl-3-(phenethylcarbamoylamino)-1-(3-phenylpropanoyl)piperazin-2-yl]ethyl] ethanethioate Openeye Name: S-[2-[4-methyl-3-(phenethylcarbamoylamino)-1-(3-phenylpropanoyl)piperazin-2-yl]ethyl] ethanethioate CAS Name: ethanethioic acid S-[2-[4-methyl-3-[[oxo-(phenethylamino)methyl]amino]-1-(1-oxo-3-phenylpropyl)-2-piperazinyl]ethyl] ester IUPAC Name: S-[2-[4-methyl-3-(phenethylcarbamoylamino)-1-(3-phenylpropanoyl)piperazin-2-yl]ethyl] ethanethioate Traditional Name: ethanethioic acid S-[2-[1-hydrocinnamoyl-4-methyl-3-(phenethylcarbamoylamino)piperazin-2-yl]ethyl] ester Formula: C27H36N4O3S MolecularWeight: 496.66474

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SCCC1C(N(CCN1C(=O)CCC2=CC=CC=C2)C)NC(=O)NCCC3=CC=CC=C3

Isomeric SMILES

CC(=O)SCCC1C(N(CCN1C(=O)CCC2=CC=CC=C2)C)NC(=O)NCCC3=CC=CC=C3

InChI

InChI=1S/C27H36N4O3S/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/h3-12,24,26H,13-20H2,1-2H3,(H2,28,29,34)