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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SCCCC1C(N(CCN1C(=O)CCC2=CC=CC=C2)C)NC(=O)NCCC3=CC=CC=C3

Isomeric SMILES

CC(=O)SCCCC1C(N(CCN1C(=O)CCC2=CC=CC=C2)C)NC(=O)NCCC3=CC=CC=C3

InChI

InChI=1S/C28H38N4O3S/c1-22(33)36-21-9-14-25-27(30-28(35)29-18-17-24-12-7-4-8-13-24)31(2)19-20-32(25)26(34)16-15-23-10-5-3-6-11-23/h3-8,10-13,25,27H,9,14-21H2,1-2H3,(H2,29,30,35)