4-(1H-benzimidazol-2-ylsulfanyl)-1-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-1-yl]butan-1-one

Systemtic Name: 4-(1H-benzimidazol-2-ylsulfanyl)-1-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-1-yl]butan-1-one Openeye Name: 4-(1H-benzimidazol-2-ylsulfanyl)-1-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-1-yl]butan-1-one CAS Name: 4-(1H-benzimidazol-2-ylthio)-1-[4-(1,3-benzothiazol-2-ylmethyl)-1-piperazinyl]-1-butanone IUPAC Name: 4-(1H-benzimidazol-2-ylsulfanyl)-1-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-1-yl]butan-1-one Traditional Name: 4-(1H-benzimidazol-2-ylthio)-1-[4-(1,3-benzothiazol-2-ylmethyl)piperazino]butan-1-one Formula: C23H25N5OS2 MolecularWeight: 451.6075

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=NC3=CC=CC=C3S2)C(=O)CCCSC4=NC5=CC=CC=C5N4

Isomeric SMILES

C1CN(CCN1CC2=NC3=CC=CC=C3S2)C(=O)CCCSC4=NC5=CC=CC=C5N4

InChI

InChI=1S/C23H25N5OS2/c29-22(10-5-15-30-23-25-17-6-1-2-7-18(17)26-23)28-13-11-27(12-14-28)16-21-24-19-8-3-4-9-20(19)31-21/h1-4,6-9H,5,10-16H2,(H,25,26)