S-[3-[4-(2-hydroxyethyl)piperazin-1-yl]carbonyl-4-(phenethylcarbamoylamino)-4-phenyl-butyl] ethanethioate

Systemtic Name: S-[3-[4-(2-hydroxyethyl)piperazin-1-yl]carbonyl-4-(phenethylcarbamoylamino)-4-phenyl-butyl] ethanethioate Openeye Name: S-[3-[4-(2-hydroxyethyl)piperazine-1-carbonyl]-4-(phenethylcarbamoylamino)-4-phenyl-butyl] ethanethioate CAS Name: ethanethioic acid S-[3-[[4-(2-hydroxyethyl)-1-piperazinyl]-oxomethyl]-4-[[oxo-(phenethylamino)methyl]amino]-4-phenylbutyl] ester IUPAC Name: S-[3-[4-(2-hydroxyethyl)piperazine-1-carbonyl]-4-(phenethylcarbamoylamino)-4-phenylbutyl] ethanethioate Traditional Name: ethanethioic acid S-[3-[4-(2-hydroxyethyl)piperazine-1-carbonyl]-4-(phenethylcarbamoylamino)-4-phenyl-butyl] ester Formula: C28H38N4O4S MolecularWeight: 526.69072

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SCCC(C(C1=CC=CC=C1)NC(=O)NCCC2=CC=CC=C2)C(=O)N3CCN(CC3)CCO

Isomeric SMILES

CC(=O)SCCC(C(C1=CC=CC=C1)NC(=O)NCCC2=CC=CC=C2)C(=O)N3CCN(CC3)CCO

InChI

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