1-[4-(2-hydroxyethyl)piperazin-1-yl]-3-methyl-3-(phenylmethylsulfanyl)butan-1-one

Systemtic Name: 1-[4-(2-hydroxyethyl)piperazin-1-yl]-3-methyl-3-(phenylmethylsulfanyl)butan-1-one Openeye Name: 3-benzylsulfanyl-1-[4-(2-hydroxyethyl)piperazin-1-yl]-3-methyl-butan-1-one CAS Name: 1-[4-(2-hydroxyethyl)-1-piperazinyl]-3-methyl-3-(phenylmethylthio)-1-butanone IUPAC Name: 3-benzylsulfanyl-1-[4-(2-hydroxyethyl)piperazin-1-yl]-3-methylbutan-1-one Traditional Name: 3-(benzylthio)-1-[4-(2-hydroxyethyl)piperazino]-3-methyl-butan-1-one Formula: C18H28N2O2S MolecularWeight: 336.49212

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CC(=O)N1CCN(CC1)CCO)SCC2=CC=CC=C2

Isomeric SMILES

CC(C)(CC(=O)N1CCN(CC1)CCO)SCC2=CC=CC=C2

InChI

InChI=1S/C18H28N2O2S/c1-18(2,23-15-16-6-4-3-5-7-16)14-17(22)20-10-8-19(9-11-20)12-13-21/h3-7,21H,8-15H2,1-2H3