3-[1-[1-[(3-bromanylthiophen-2-yl)methyl]piperidin-4-yl]piperidin-4-yl]-1H-benzimidazol-2-one

Systemtic Name: 3-[1-[1-[(3-bromanylthiophen-2-yl)methyl]piperidin-4-yl]piperidin-4-yl]-1H-benzimidazol-2-one Openeye Name: 3-[1-[1-[(3-bromo-2-thienyl)methyl]-4-piperidyl]-4-piperidyl]-1H-benzimidazol-2-one CAS Name: 3-[1-[1-[(3-bromo-2-thiophenyl)methyl]-4-piperidinyl]-4-piperidinyl]-1H-benzimidazol-2-one IUPAC Name: 3-[1-[1-[(3-bromothiophen-2-yl)methyl]piperidin-4-yl]piperidin-4-yl]-1H-benzimidazol-2-one Traditional Name: 3-[1-[1-[(3-bromo-2-thienyl)methyl]-4-piperidyl]-4-piperidyl]-1H-benzimidazol-2-one Formula: C22H27BrN4OS MolecularWeight: 475.44498

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1N2CCC(CC2)N3C4=CC=CC=C4NC3=O)CC5=C(C=CS5)Br

Isomeric SMILES

C1CN(CCC1N2CCC(CC2)N3C4=CC=CC=C4NC3=O)CC5=C(C=CS5)Br

InChI

InChI=1S/C22H27BrN4OS/c23-18-9-14-29-21(18)15-25-10-5-16(6-11-25)26-12-7-17(8-13-26)27-20-4-2-1-3-19(20)24-22(27)28/h1-4,9,14,16-17H,5-8,10-13,15H2,(H,24,28)