2-[4-[4-(1H-benzimidazol-2-ylsulfanylmethyl)phenyl]carbonylpiperazin-1-ium-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)ethanamide

Systemtic Name: 2-[4-[4-(1H-benzimidazol-2-ylsulfanylmethyl)phenyl]carbonylpiperazin-1-ium-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)ethanamide Openeye Name: 2-[4-[4-(1H-benzimidazol-2-ylsulfanylmethyl)benzoyl]piperazin-1-ium-1-yl]-N-(5-methylisoxazol-3-yl)acetamide CAS Name: 2-[4-[[4-[(1H-benzimidazol-2-ylthio)methyl]phenyl]-oxomethyl]-1-piperazin-1-iumyl]-N-(5-methyl-3-isoxazolyl)acetamide IUPAC Name: 2-[4-[4-(1H-benzimidazol-2-ylsulfanylmethyl)benzoyl]piperazin-1-ium-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide Traditional Name: 2-[4-[4-[(1H-benzimidazol-2-ylthio)methyl]benzoyl]piperazin-1-ium-1-yl]-N-(5-methylisoxazol-3-yl)acetamide Formula: C25H27N6O3S+ MolecularWeight: 491.58528

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NO1)NC(=O)C[NH+]2CCN(CC2)C(=O)C3=CC=C(C=C3)CSC4=NC5=CC=CC=C5N4

Isomeric SMILES

CC1=CC(=NO1)NC(=O)C[NH+]2CCN(CC2)C(=O)C3=CC=C(C=C3)CSC4=NC5=CC=CC=C5N4

InChI

InChI=1S/C25H26N6O3S/c1-17-14-22(29-34-17)28-23(32)15-30-10-12-31(13-11-30)24(33)19-8-6-18(7-9-19)16-35-25-26-20-4-2-3-5-21(20)27-25/h2-9,14H,10-13,15-16H2,1H3,(H,26,27)(H,28,29,32)/p+1