4-[[4-[4-(1H-benzimidazol-2-ylsulfanylmethyl)phenyl]carbonylpiperazin-1-yl]methyl]benzenecarbonitrile

Systemtic Name: 4-[[4-[4-(1H-benzimidazol-2-ylsulfanylmethyl)phenyl]carbonylpiperazin-1-yl]methyl]benzenecarbonitrile Openeye Name: 4-[[4-[4-(1H-benzimidazol-2-ylsulfanylmethyl)benzoyl]piperazin-1-yl]methyl]benzonitrile CAS Name: 4-[[4-[[4-[(1H-benzimidazol-2-ylthio)methyl]phenyl]-oxomethyl]-1-piperazinyl]methyl]benzonitrile IUPAC Name: 4-[[4-[4-(1H-benzimidazol-2-ylsulfanylmethyl)benzoyl]piperazin-1-yl]methyl]benzonitrile Traditional Name: 4-[[4-[4-[(1H-benzimidazol-2-ylthio)methyl]benzoyl]piperazino]methyl]benzonitrile Formula: C27H25N5OS MolecularWeight: 467.5853

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=C(C=C2)C#N)C(=O)C3=CC=C(C=C3)CSC4=NC5=CC=CC=C5N4

Isomeric SMILES

C1CN(CCN1CC2=CC=C(C=C2)C#N)C(=O)C3=CC=C(C=C3)CSC4=NC5=CC=CC=C5N4

InChI

InChI=1S/C27H25N5OS/c28-17-20-5-7-21(8-6-20)18-31-13-15-32(16-14-31)26(33)23-11-9-22(10-12-23)19-34-27-29-24-3-1-2-4-25(24)30-27/h1-12H,13-16,18-19H2,(H,29,30)