4-[(2S,4S)-2-butyl-4-(2-nitropropan-2-yl)-6-sulfanylidene-piperidin-1-yl]butan-2-one

Systemtic Name: 4-[(2S,4S)-2-butyl-4-(2-nitropropan-2-yl)-6-sulfanylidene-piperidin-1-yl]butan-2-one Openeye Name: 4-[(2S,4S)-2-butyl-4-(1-methyl-1-nitro-ethyl)-6-thioxo-1-piperidyl]butan-2-one CAS Name: 4-[(2S,4S)-2-butyl-4-(2-nitropropan-2-yl)-6-sulfanylidene-1-piperidinyl]-2-butanone IUPAC Name: 4-[(2S,4S)-2-butyl-4-(2-nitropropan-2-yl)-6-sulfanylidenepiperidin-1-yl]butan-2-one Traditional Name: 4-[(2S,4S)-2-butyl-4-(1-methyl-1-nitro-ethyl)-6-thioxo-piperidino]butan-2-one Formula: C16H28N2O3S MolecularWeight: 328.47012

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1CC(CC(=S)N1CCC(=O)C)C(C)(C)[N+](=O)[O-]

Isomeric SMILES

CCCC[C@H]1C[C@@H](CC(=S)N1CCC(=O)C)C(C)(C)[N+](=O)[O-]

InChI

InChI=1S/C16H28N2O3S/c1-5-6-7-14-10-13(16(3,4)18(20)21)11-15(22)17(14)9-8-12(2)19/h13-14H,5-11H2,1-4H3/t13-,14-/m0/s1