[1-[(2-azanylpyridin-4-yl)methyl]piperidin-4-yl]-[4-(5-bromanyl-2-methylsulfanyl-benzimidazol-1-yl)piperidin-1-yl]methanone

Systemtic Name: [1-[(2-azanylpyridin-4-yl)methyl]piperidin-4-yl]-[4-(5-bromanyl-2-methylsulfanyl-benzimidazol-1-yl)piperidin-1-yl]methanone Openeye Name: [1-[(2-amino-4-pyridyl)methyl]-4-piperidyl]-[4-(5-bromo-2-methylsulfanyl-benzimidazol-1-yl)-1-piperidyl]methanone CAS Name: [1-[(2-amino-4-pyridinyl)methyl]-4-piperidinyl]-[4-[5-bromo-2-(methylthio)-1-benzimidazolyl]-1-piperidinyl]methanone IUPAC Name: [1-[(2-aminopyridin-4-yl)methyl]piperidin-4-yl]-[4-(5-bromo-2-methylsulfanylbenzimidazol-1-yl)piperidin-1-yl]methanone Traditional Name: [1-[(2-amino-4-pyridyl)methyl]-4-piperidyl]-[4-[5-bromo-2-(methylthio)benzimidazol-1-yl]piperidino]methanone Formula: C25H31BrN6OS MolecularWeight: 543.52224

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC2=C(N1C3CCN(CC3)C(=O)C4CCN(CC4)CC5=CC(=NC=C5)N)C=CC(=C2)Br

Isomeric SMILES

CSC1=NC2=C(N1C3CCN(CC3)C(=O)C4CCN(CC4)CC5=CC(=NC=C5)N)C=CC(=C2)Br

InChI

InChI=1S/C25H31BrN6OS/c1-34-25-29-21-15-19(26)2-3-22(21)32(25)20-7-12-31(13-8-20)24(33)18-5-10-30(11-6-18)16-17-4-9-28-23(27)14-17/h2-4,9,14-15,18,20H,5-8,10-13,16H2,1H3,(H2,27,28)