S-[2-[[1-[4-(2-hydroxyethyl)piperazin-1-yl]-1-oxidanylidene-3-phenyl-propan-2-yl]carbamoyl-phenethyl-amino]ethyl] ethanethioate

Systemtic Name: S-[2-[[1-[4-(2-hydroxyethyl)piperazin-1-yl]-1-oxidanylidene-3-phenyl-propan-2-yl]carbamoyl-phenethyl-amino]ethyl] ethanethioate Openeye Name: S-[2-[[1-benzyl-2-[4-(2-hydroxyethyl)piperazin-1-yl]-2-oxo-ethyl]carbamoyl-phenethyl-amino]ethyl] ethanethioate CAS Name: ethanethioic acid S-[2-[[[[1-[4-(2-hydroxyethyl)-1-piperazinyl]-1-oxo-3-phenylpropan-2-yl]amino]-oxomethyl]-phenethylamino]ethyl] ester IUPAC Name: S-[2-[[1-[4-(2-hydroxyethyl)piperazin-1-yl]-1-oxo-3-phenylpropan-2-yl]carbamoyl-phenethylamino]ethyl] ethanethioate Traditional Name: ethanethioic acid S-[2-[[1-benzyl-2-[4-(2-hydroxyethyl)piperazino]-2-keto-ethyl]carbamoyl-phenethyl-amino]ethyl] ester Formula: C28H38N4O4S MolecularWeight: 526.69072

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SCCN(CCC1=CC=CC=C1)C(=O)NC(CC2=CC=CC=C2)C(=O)N3CCN(CC3)CCO

Isomeric SMILES

CC(=O)SCCN(CCC1=CC=CC=C1)C(=O)NC(CC2=CC=CC=C2)C(=O)N3CCN(CC3)CCO

InChI

InChI=1S/C28H38N4O4S/c1-23(34)37-21-19-32(13-12-24-8-4-2-5-9-24)28(36)29-26(22-25-10-6-3-7-11-25)27(35)31-16-14-30(15-17-31)18-20-33/h2-11,26,33H,12-22H2,1H3,(H,29,36)