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

Systemtic Name: 1-[4-(2-hydroxyethyl)piperazin-1-yl]-3-methyl-3-nitrososulfanyl-butan-1-one Openeye Name: 1-[4-(2-hydroxyethyl)piperazin-1-yl]-3-methyl-3-nitrososulfanyl-butan-1-one CAS Name: 4-[4-(2-hydroxyethyl)-1-piperazinyl]-2-methyl-N,4-dioxo-2-butanesulfenamide IUPAC Name: 1-[4-(2-hydroxyethyl)piperazin-1-yl]-3-methyl-3-nitrososulfanylbutan-1-one Traditional Name: 1-[4-(2-hydroxyethyl)piperazino]-3-methyl-3-(nitrosothio)butan-1-one Formula: C11H21N3O3S MolecularWeight: 275.36774

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H21N3O3S/c1-11(2,18-12-17)9-10(16)14-5-3-13(4-6-14)7-8-15/h15H,3-9H2,1-2H3