2-[4-[4-(1H-benzimidazol-2-ylsulfanyl)butanoyl]piperazin-1-ium-1-yl]-N-(2,3-dimethylphenyl)ethanamide

Systemtic Name: 2-[4-[4-(1H-benzimidazol-2-ylsulfanyl)butanoyl]piperazin-1-ium-1-yl]-N-(2,3-dimethylphenyl)ethanamide Openeye Name: 2-[4-[4-(1H-benzimidazol-2-ylsulfanyl)butanoyl]piperazin-1-ium-1-yl]-N-(2,3-dimethylphenyl)acetamide CAS Name: 2-[4-[4-(1H-benzimidazol-2-ylthio)-1-oxobutyl]-1-piperazin-1-iumyl]-N-(2,3-dimethylphenyl)acetamide IUPAC Name: 2-[4-[4-(1H-benzimidazol-2-ylsulfanyl)butanoyl]piperazin-1-ium-1-yl]-N-(2,3-dimethylphenyl)acetamide Traditional Name: 2-[4-[4-(1H-benzimidazol-2-ylthio)butanoyl]piperazin-1-ium-1-yl]-N-(2,3-dimethylphenyl)acetamide Formula: C25H32N5O2S+ MolecularWeight: 466.61888

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)NC(=O)C[NH+]2CCN(CC2)C(=O)CCCSC3=NC4=CC=CC=C4N3)C

Isomeric SMILES

CC1=C(C(=CC=C1)NC(=O)C[NH+]2CCN(CC2)C(=O)CCCSC3=NC4=CC=CC=C4N3)C

InChI

InChI=1S/C25H31N5O2S/c1-18-7-5-10-20(19(18)2)26-23(31)17-29-12-14-30(15-13-29)24(32)11-6-16-33-25-27-21-8-3-4-9-22(21)28-25/h3-5,7-10H,6,11-17H2,1-2H3,(H,26,31)(H,27,28)/p+1