6-chloranyl-5-[4-(1H-imidazol-2-ylmethyl)piperazin-1-yl]-2-pentan-3-ylsulfanyl-1H-benzimidazole

Systemtic Name: 6-chloranyl-5-[4-(1H-imidazol-2-ylmethyl)piperazin-1-yl]-2-pentan-3-ylsulfanyl-1H-benzimidazole Openeye Name: 6-chloro-2-(1-ethylpropylsulfanyl)-5-[4-(1H-imidazol-2-ylmethyl)piperazin-1-yl]-1H-benzimidazole CAS Name: 6-chloro-5-[4-(1H-imidazol-2-ylmethyl)-1-piperazinyl]-2-(pentan-3-ylthio)-1H-benzimidazole IUPAC Name: 6-chloro-5-[4-(1H-imidazol-2-ylmethyl)piperazin-1-yl]-2-pentan-3-ylsulfanyl-1H-benzimidazole Traditional Name: 6-chloro-2-(1-ethylpropylthio)-5-[4-(1H-imidazol-2-ylmethyl)piperazino]-1H-benzimidazole Formula: C20H27ClN6S MolecularWeight: 418.98658

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)SC1=NC2=CC(=C(C=C2N1)Cl)N3CCN(CC3)CC4=NC=CN4

Isomeric SMILES

CCC(CC)SC1=NC2=CC(=C(C=C2N1)Cl)N3CCN(CC3)CC4=NC=CN4

InChI

InChI=1S/C20H27ClN6S/c1-3-14(4-2)28-20-24-16-11-15(21)18(12-17(16)25-20)27-9-7-26(8-10-27)13-19-22-5-6-23-19/h5-6,11-12,14H,3-4,7-10,13H2,1-2H3,(H,22,23)(H,24,25)