copper (NE)-2-ethyl-N-[(5-nitrofuran-2-yl)methylidene]piperidine-1-carbothioamide dichloride

Systemtic Name: copper (NE)-2-ethyl-N-[(5-nitrofuran-2-yl)methylidene]piperidine-1-carbothioamide dichloride Openeye Name: copper (NE)-2-ethyl-N-[(5-nitro-2-furyl)methylene]piperidine-1-carbothioamide dichloride CAS Name: copper (NE)-2-ethyl-N-[(5-nitro-2-furanyl)methylidene]-1-piperidinecarbothioamide dichloride IUPAC Name: copper (NE)-2-ethyl-N-[(5-nitrofuran-2-yl)methylidene]piperidine-1-carbothioamide dichloride Traditional Name: cupric (NE)-2-ethyl-N-[(5-nitro-2-furyl)methylene]piperidine-1-carbothioamide dichloride Formula: C26H34Cl2CuN6O6S2 MolecularWeight: 725.16676

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CCCCN1C(=S)N=CC2=CC=C(O2)[N+](=O)[O-].CCC1CCCCN1C(=S)N=CC2=CC=C(O2)[N+](=O)[O-].[Cl-].[Cl-].[Cu+2]

Isomeric SMILES

CCC1N(CCCC1)C(=S)/N=C/C2=CC=C(O2)[N+](=O)[O-].CCC1N(CCCC1)C(=S)/N=C/C2=CC=C(O2)[N+](=O)[O-].[Cl-].[Cl-].[Cu+2]

InChI

InChI=1S/2C13H17N3O3S.2ClH.Cu/c2*1-2-10-5-3-4-8-15(10)13(20)14-9-11-6-7-12(19-11)16(17)18;;;/h2*6-7,9-10H,2-5,8H2,1H3;2*1H;/q;;;;+2/p-2/b2*14-9+;;;