1-(3,5-dimethylpiperidin-1-yl)-2-(2-nitrothiophen-3-yl)sulfanyl-ethanone

Systemtic Name: 1-(3,5-dimethylpiperidin-1-yl)-2-(2-nitrothiophen-3-yl)sulfanyl-ethanone Openeye Name: 1-(3,5-dimethyl-1-piperidyl)-2-[(2-nitro-3-thienyl)sulfanyl]ethanone CAS Name: 1-(3,5-dimethyl-1-piperidinyl)-2-[(2-nitro-3-thiophenyl)thio]ethanone IUPAC Name: 1-(3,5-dimethylpiperidin-1-yl)-2-(2-nitrothiophen-3-yl)sulfanylethanone Traditional Name: 1-(3,5-dimethylpiperidino)-2-[(2-nitro-3-thienyl)thio]ethanone Formula: C13H18N2O3S2 MolecularWeight: 314.42362

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CC(CN(C1)C(=O)CSC2=C(SC=C2)[N+](=O)[O-])C

Isomeric SMILES

CC1CC(CN(C1)C(=O)CSC2=C(SC=C2)[N+](=O)[O-])C

InChI

InChI=1S/C13H18N2O3S2/c1-9-5-10(2)7-14(6-9)12(16)8-20-11-3-4-19-13(11)15(17)18/h3-4,9-10H,5-8H2,1-2H3