4-[[6-chloranyl-5-[4-(phenylmethyl)piperazin-1-yl]-1H-benzimidazol-2-yl]sulfanyl]-4-methyl-pentan-2-one

Systemtic Name: 4-[[6-chloranyl-5-[4-(phenylmethyl)piperazin-1-yl]-1H-benzimidazol-2-yl]sulfanyl]-4-methyl-pentan-2-one Openeye Name: 4-[[5-(4-benzylpiperazin-1-yl)-6-chloro-1H-benzimidazol-2-yl]sulfanyl]-4-methyl-pentan-2-one CAS Name: 4-[[6-chloro-5-[4-(phenylmethyl)-1-piperazinyl]-1H-benzimidazol-2-yl]thio]-4-methyl-2-pentanone IUPAC Name: 4-[[5-(4-benzylpiperazin-1-yl)-6-chloro-1H-benzimidazol-2-yl]sulfanyl]-4-methylpentan-2-one Traditional Name: 4-[[5-(4-benzylpiperazino)-6-chloro-1H-benzimidazol-2-yl]thio]-4-methyl-pentan-2-one Formula: C24H29ClN4OS MolecularWeight: 457.03126

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CC(C)(C)SC1=NC2=CC(=C(C=C2N1)Cl)N3CCN(CC3)CC4=CC=CC=C4

Isomeric SMILES

CC(=O)CC(C)(C)SC1=NC2=CC(=C(C=C2N1)Cl)N3CCN(CC3)CC4=CC=CC=C4

InChI

InChI=1S/C24H29ClN4OS/c1-17(30)15-24(2,3)31-23-26-20-13-19(25)22(14-21(20)27-23)29-11-9-28(10-12-29)16-18-7-5-4-6-8-18/h4-8,13-14H,9-12,15-16H2,1-3H3,(H,26,27)