N-tert-butyl-2-[4-[(3-ethyl-2-sulfanylidene-benzimidazol-1-yl)methyl]piperazine-1,4-diium-1-yl]ethanamide

Systemtic Name: N-tert-butyl-2-[4-[(3-ethyl-2-sulfanylidene-benzimidazol-1-yl)methyl]piperazine-1,4-diium-1-yl]ethanamide Openeye Name: N-tert-butyl-2-[4-[(3-ethyl-2-thioxo-benzimidazol-1-yl)methyl]piperazine-1,4-diium-1-yl]acetamide CAS Name: N-tert-butyl-2-[4-[(3-ethyl-2-sulfanylidene-1-benzimidazolyl)methyl]-1-piperazine-1,4-diiumyl]acetamide IUPAC Name: N-tert-butyl-2-[4-[(3-ethyl-2-sulfanylidenebenzimidazol-1-yl)methyl]piperazine-1,4-diium-1-yl]acetamide Traditional Name: N-tert-butyl-2-[4-[(3-ethyl-2-thioxo-benzimidazol-1-yl)methyl]piperazine-1,4-diium-1-yl]acetamide Formula: C20H33N5OS+2 MolecularWeight: 391.57392

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=CC=CC=C2N(C1=S)C[NH+]3CC[NH+](CC3)CC(=O)NC(C)(C)C

Isomeric SMILES

CCN1C2=CC=CC=C2N(C1=S)C[NH+]3CC[NH+](CC3)CC(=O)NC(C)(C)C

InChI

InChI=1S/C20H31N5OS/c1-5-24-16-8-6-7-9-17(16)25(19(24)27)15-23-12-10-22(11-13-23)14-18(26)21-20(2,3)4/h6-9H,5,10-15H2,1-4H3,(H,21,26)/p+2