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

Systemtic Name: S-[2-[4-methyl-3-(phenethylcarbamoylamino)-1-(2-phenylethanoyl)piperazin-2-yl]ethyl] ethanethioate Openeye Name: S-[2-[4-methyl-3-(phenethylcarbamoylamino)-1-(2-phenylacetyl)piperazin-2-yl]ethyl] ethanethioate CAS Name: ethanethioic acid S-[2-[4-methyl-3-[[oxo-(phenethylamino)methyl]amino]-1-(1-oxo-2-phenylethyl)-2-piperazinyl]ethyl] ester IUPAC Name: S-[2-[4-methyl-3-(phenethylcarbamoylamino)-1-(2-phenylacetyl)piperazin-2-yl]ethyl] ethanethioate Traditional Name: ethanethioic acid S-[2-[4-methyl-3-(phenethylcarbamoylamino)-1-(2-phenylacetyl)piperazin-2-yl]ethyl] ester Formula: C26H34N4O3S MolecularWeight: 482.63816

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SCCC1C(N(CCN1C(=O)CC2=CC=CC=C2)C)NC(=O)NCCC3=CC=CC=C3

Isomeric SMILES

CC(=O)SCCC1C(N(CCN1C(=O)CC2=CC=CC=C2)C)NC(=O)NCCC3=CC=CC=C3

InChI

InChI=1S/C26H34N4O3S/c1-20(31)34-18-14-23-25(28-26(33)27-15-13-21-9-5-3-6-10-21)29(2)16-17-30(23)24(32)19-22-11-7-4-8-12-22/h3-12,23,25H,13-19H2,1-2H3,(H2,27,28,33)