1-[4-[4-(1H-benzimidazol-2-ylsulfanylmethyl)phenyl]carbonylpiperazin-1-yl]-3-methyl-butan-1-one

Systemtic Name: 1-[4-[4-(1H-benzimidazol-2-ylsulfanylmethyl)phenyl]carbonylpiperazin-1-yl]-3-methyl-butan-1-one Openeye Name: 1-[4-[4-(1H-benzimidazol-2-ylsulfanylmethyl)benzoyl]piperazin-1-yl]-3-methyl-butan-1-one CAS Name: 1-[4-[[4-[(1H-benzimidazol-2-ylthio)methyl]phenyl]-oxomethyl]-1-piperazinyl]-3-methyl-1-butanone IUPAC Name: 1-[4-[4-(1H-benzimidazol-2-ylsulfanylmethyl)benzoyl]piperazin-1-yl]-3-methylbutan-1-one Traditional Name: 1-[4-[4-[(1H-benzimidazol-2-ylthio)methyl]benzoyl]piperazino]-3-methyl-butan-1-one Formula: C24H28N4O2S MolecularWeight: 436.56972

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)N1CCN(CC1)C(=O)C2=CC=C(C=C2)CSC3=NC4=CC=CC=C4N3

Isomeric SMILES

CC(C)CC(=O)N1CCN(CC1)C(=O)C2=CC=C(C=C2)CSC3=NC4=CC=CC=C4N3

InChI

InChI=1S/C24H28N4O2S/c1-17(2)15-22(29)27-11-13-28(14-12-27)23(30)19-9-7-18(8-10-19)16-31-24-25-20-5-3-4-6-21(20)26-24/h3-10,17H,11-16H2,1-2H3,(H,25,26)