4-[(3R,4S,6S)-6-butyl-4-(2-nitropropan-2-yl)-3-prop-2-enyl-2-sulfanylidene-piperidin-1-yl]butan-2-one

Systemtic Name: 4-[(3R,4S,6S)-6-butyl-4-(2-nitropropan-2-yl)-3-prop-2-enyl-2-sulfanylidene-piperidin-1-yl]butan-2-one Openeye Name: 4-[(3R,4S,6S)-3-allyl-6-butyl-4-(1-methyl-1-nitro-ethyl)-2-thioxo-1-piperidyl]butan-2-one CAS Name: 4-[(3R,4S,6S)-6-butyl-4-(2-nitropropan-2-yl)-3-prop-2-enyl-2-sulfanylidene-1-piperidinyl]-2-butanone IUPAC Name: 4-[(3R,4S,6S)-6-butyl-4-(2-nitropropan-2-yl)-3-prop-2-enyl-2-sulfanylidenepiperidin-1-yl]butan-2-one Traditional Name: 4-[(3R,4S,6S)-3-allyl-6-butyl-4-(1-methyl-1-nitro-ethyl)-2-thioxo-piperidino]butan-2-one Formula: C19H32N2O3S MolecularWeight: 368.53398

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H32N2O3S/c1-6-8-10-15-13-17(19(4,5)21(23)24)16(9-7-2)18(25)20(15)12-11-14(3)22/h7,15-17H,2,6,8-13H2,1,3-5H3/t15-,16+,17-/m0/s1