2-(1H-benzimidazol-2-ylsulfanyl)-1-[4-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)piperazin-1-yl]ethanone

Systemtic Name: 2-(1H-benzimidazol-2-ylsulfanyl)-1-[4-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)piperazin-1-yl]ethanone Openeye Name: 2-(1H-benzimidazol-2-ylsulfanyl)-1-[4-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)piperazin-1-yl]ethanone CAS Name: 2-(1H-benzimidazol-2-ylthio)-1-[4-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-1-piperazinyl]ethanone IUPAC Name: 2-(1H-benzimidazol-2-ylsulfanyl)-1-[4-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)piperazin-1-yl]ethanone Traditional Name: 2-(1H-benzimidazol-2-ylthio)-1-[4-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)piperazino]ethanone Formula: C22H24N4O3S MolecularWeight: 424.51596

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC3=C(C=C2)OCCO3)C(=O)CSC4=NC5=CC=CC=C5N4

Isomeric SMILES

C1CN(CCN1CC2=CC3=C(C=C2)OCCO3)C(=O)CSC4=NC5=CC=CC=C5N4

InChI

InChI=1S/C22H24N4O3S/c27-21(15-30-22-23-17-3-1-2-4-18(17)24-22)26-9-7-25(8-10-26)14-16-5-6-19-20(13-16)29-12-11-28-19/h1-6,13H,7-12,14-15H2,(H,23,24)