6-chloranyl-5-[4-[(2,6-dimethoxyphenyl)methyl]piperazin-1-yl]-2-pentan-3-ylsulfanyl-1H-benzimidazole

Systemtic Name: 6-chloranyl-5-[4-[(2,6-dimethoxyphenyl)methyl]piperazin-1-yl]-2-pentan-3-ylsulfanyl-1H-benzimidazole Openeye Name: 6-chloro-5-[4-[(2,6-dimethoxyphenyl)methyl]piperazin-1-yl]-2-(1-ethylpropylsulfanyl)-1H-benzimidazole CAS Name: 6-chloro-5-[4-[(2,6-dimethoxyphenyl)methyl]-1-piperazinyl]-2-(pentan-3-ylthio)-1H-benzimidazole IUPAC Name: 6-chloro-5-[4-[(2,6-dimethoxyphenyl)methyl]piperazin-1-yl]-2-pentan-3-ylsulfanyl-1H-benzimidazole Traditional Name: 6-chloro-5-[4-(2,6-dimethoxybenzyl)piperazino]-2-(1-ethylpropylthio)-1H-benzimidazole Formula: C25H33ClN4O2S MolecularWeight: 489.07312

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)SC1=NC2=CC(=C(C=C2N1)Cl)N3CCN(CC3)CC4=C(C=CC=C4OC)OC

Isomeric SMILES

CCC(CC)SC1=NC2=CC(=C(C=C2N1)Cl)N3CCN(CC3)CC4=C(C=CC=C4OC)OC

InChI

InChI=1S/C25H33ClN4O2S/c1-5-17(6-2)33-25-27-20-14-19(26)22(15-21(20)28-25)30-12-10-29(11-13-30)16-18-23(31-3)8-7-9-24(18)32-4/h7-9,14-15,17H,5-6,10-13,16H2,1-4H3,(H,27,28)