2-[4-[2-(1H-benzimidazol-2-ylsulfanyl)ethanoyl]piperazin-1-ium-1-yl]-N-(2,6-dimethylphenyl)ethanamide

Systemtic Name: 2-[4-[2-(1H-benzimidazol-2-ylsulfanyl)ethanoyl]piperazin-1-ium-1-yl]-N-(2,6-dimethylphenyl)ethanamide Openeye Name: 2-[4-[2-(1H-benzimidazol-2-ylsulfanyl)acetyl]piperazin-1-ium-1-yl]-N-(2,6-dimethylphenyl)acetamide CAS Name: 2-[4-[2-(1H-benzimidazol-2-ylthio)-1-oxoethyl]-1-piperazin-1-iumyl]-N-(2,6-dimethylphenyl)acetamide IUPAC Name: 2-[4-[2-(1H-benzimidazol-2-ylsulfanyl)acetyl]piperazin-1-ium-1-yl]-N-(2,6-dimethylphenyl)acetamide Traditional Name: 2-[4-[2-(1H-benzimidazol-2-ylthio)acetyl]piperazin-1-ium-1-yl]-N-(2,6-dimethylphenyl)acetamide Formula: C23H28N5O2S+ MolecularWeight: 438.56572

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)NC(=O)C[NH+]2CCN(CC2)C(=O)CSC3=NC4=CC=CC=C4N3

Isomeric SMILES

CC1=C(C(=CC=C1)C)NC(=O)C[NH+]2CCN(CC2)C(=O)CSC3=NC4=CC=CC=C4N3

InChI

InChI=1S/C23H27N5O2S/c1-16-6-5-7-17(2)22(16)26-20(29)14-27-10-12-28(13-11-27)21(30)15-31-23-24-18-8-3-4-9-19(18)25-23/h3-9H,10-15H2,1-2H3,(H,24,25)(H,26,29)/p+1