3,3-dimethyl-1-[4-(2-oxidanylidene-2-thiophen-2-yl-ethyl)piperazin-1-yl]butan-1-one

Systemtic Name: 3,3-dimethyl-1-[4-(2-oxidanylidene-2-thiophen-2-yl-ethyl)piperazin-1-yl]butan-1-one Openeye Name: 3,3-dimethyl-1-[4-[2-oxo-2-(2-thienyl)ethyl]piperazin-1-yl]butan-1-one CAS Name: 3,3-dimethyl-1-[4-(2-oxo-2-thiophen-2-ylethyl)-1-piperazinyl]-1-butanone IUPAC Name: 3,3-dimethyl-1-[4-(2-oxo-2-thiophen-2-ylethyl)piperazin-1-yl]butan-1-one Traditional Name: 1-[4-[2-keto-2-(2-thienyl)ethyl]piperazino]-3,3-dimethyl-butan-1-one Formula: C16H24N2O2S MolecularWeight: 308.43896

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CC(=O)N1CCN(CC1)CC(=O)C2=CC=CS2

Isomeric SMILES

CC(C)(C)CC(=O)N1CCN(CC1)CC(=O)C2=CC=CS2

InChI

InChI=1S/C16H24N2O2S/c1-16(2,3)11-15(20)18-8-6-17(7-9-18)12-13(19)14-5-4-10-21-14/h4-5,10H,6-9,11-12H2,1-3H3