2-[(1R)-1-(1H-benzimidazol-2-yl)ethyl]sulfanyl-1-[4-(pyridin-4-ylmethyl)piperazin-1-yl]ethanone

Systemtic Name: 2-[(1R)-1-(1H-benzimidazol-2-yl)ethyl]sulfanyl-1-[4-(pyridin-4-ylmethyl)piperazin-1-yl]ethanone Openeye Name: 2-[(1R)-1-(1H-benzimidazol-2-yl)ethyl]sulfanyl-1-[4-(4-pyridylmethyl)piperazin-1-yl]ethanone CAS Name: 2-[[(1R)-1-(1H-benzimidazol-2-yl)ethyl]thio]-1-[4-(pyridin-4-ylmethyl)-1-piperazinyl]ethanone IUPAC Name: 2-[(1R)-1-(1H-benzimidazol-2-yl)ethyl]sulfanyl-1-[4-(pyridin-4-ylmethyl)piperazin-1-yl]ethanone Traditional Name: 2-[[(1R)-1-(1H-benzimidazol-2-yl)ethyl]thio]-1-[4-(4-pyridylmethyl)piperazino]ethanone Formula: C21H25N5OS MolecularWeight: 395.5211

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=NC2=CC=CC=C2N1)SCC(=O)N3CCN(CC3)CC4=CC=NC=C4

Isomeric SMILES

C[C@H](C1=NC2=CC=CC=C2N1)SCC(=O)N3CCN(CC3)CC4=CC=NC=C4

InChI

InChI=1S/C21H25N5OS/c1-16(21-23-18-4-2-3-5-19(18)24-21)28-15-20(27)26-12-10-25(11-13-26)14-17-6-8-22-9-7-17/h2-9,16H,10-15H2,1H3,(H,23,24)/t16-/m1/s1