S-[1-[4-methyl-1-[3-(phenethylcarbamoylamino)-3-phenyl-propanoyl]piperazin-2-yl]propan-2-yl] ethanethioate

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC1CN(CCN1C(=O)CC(C2=CC=CC=C2)NC(=O)NCCC3=CC=CC=C3)C)SC(=O)C

Isomeric SMILES

CC(CC1CN(CCN1C(=O)CC(C2=CC=CC=C2)NC(=O)NCCC3=CC=CC=C3)C)SC(=O)C

InChI

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