3-[1-[4-(1H-benzimidazol-2-ylsulfanylmethyl)phenyl]carbonylpiperidin-4-yl]-1H-benzimidazol-2-one

Systemtic Name: 3-[1-[4-(1H-benzimidazol-2-ylsulfanylmethyl)phenyl]carbonylpiperidin-4-yl]-1H-benzimidazol-2-one Openeye Name: 3-[1-[4-(1H-benzimidazol-2-ylsulfanylmethyl)benzoyl]-4-piperidyl]-1H-benzimidazol-2-one CAS Name: 3-[1-[[4-[(1H-benzimidazol-2-ylthio)methyl]phenyl]-oxomethyl]-4-piperidinyl]-1H-benzimidazol-2-one IUPAC Name: 3-[1-[4-(1H-benzimidazol-2-ylsulfanylmethyl)benzoyl]piperidin-4-yl]-1H-benzimidazol-2-one Traditional Name: 3-[1-[4-[(1H-benzimidazol-2-ylthio)methyl]benzoyl]-4-piperidyl]-1H-benzimidazol-2-one Formula: C27H25N5O2S MolecularWeight: 483.5847

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1N2C3=CC=CC=C3NC2=O)C(=O)C4=CC=C(C=C4)CSC5=NC6=CC=CC=C6N5

Isomeric SMILES

C1CN(CCC1N2C3=CC=CC=C3NC2=O)C(=O)C4=CC=C(C=C4)CSC5=NC6=CC=CC=C6N5

InChI

InChI=1S/C27H25N5O2S/c33-25(31-15-13-20(14-16-31)32-24-8-4-3-7-23(24)30-27(32)34)19-11-9-18(10-12-19)17-35-26-28-21-5-1-2-6-22(21)29-26/h1-12,20H,13-17H2,(H,28,29)(H,30,34)