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

Systemtic Name: 1-[4-(2-hydroxyethyl)piperazin-1-yl]-3-methyl-3-sulfanyl-butan-1-one Openeye Name: 1-[4-(2-hydroxyethyl)piperazin-1-yl]-3-methyl-3-sulfanyl-butan-1-one CAS Name: 1-[4-(2-hydroxyethyl)-1-piperazinyl]-3-mercapto-3-methyl-1-butanone IUPAC Name: 1-[4-(2-hydroxyethyl)piperazin-1-yl]-3-methyl-3-sulfanylbutan-1-one Traditional Name: 1-[4-(2-hydroxyethyl)piperazino]-3-mercapto-3-methyl-butan-1-one Formula: C11H22N2O2S MolecularWeight: 246.36958

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CC(=O)N1CCN(CC1)CCO)S

Isomeric SMILES

CC(C)(CC(=O)N1CCN(CC1)CCO)S

InChI

InChI=1S/C11H22N2O2S/c1-11(2,16)9-10(15)13-5-3-12(4-6-13)7-8-14/h14,16H,3-9H2,1-2H3