4-(1,3-benzothiazol-2-ylsulfanyl)-1-[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperazin-1-yl]butan-1-one

Systemtic Name: 4-(1,3-benzothiazol-2-ylsulfanyl)-1-[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperazin-1-yl]butan-1-one Openeye Name: 4-(1,3-benzothiazol-2-ylsulfanyl)-1-[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperazin-1-yl]butan-1-one CAS Name: 4-(1,3-benzothiazol-2-ylthio)-1-[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-1-piperazinyl]-1-butanone IUPAC Name: 4-(1,3-benzothiazol-2-ylsulfanyl)-1-[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperazin-1-yl]butan-1-one Traditional Name: 4-(1,3-benzothiazol-2-ylthio)-1-[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperazino]butan-1-one Formula: C23H25N3O5S3 MolecularWeight: 519.6567

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)CCCSC2=NC3=CC=CC=C3S2)S(=O)(=O)C4=CC5=C(C=C4)OCCO5

Isomeric SMILES

C1CN(CCN1C(=O)CCCSC2=NC3=CC=CC=C3S2)S(=O)(=O)C4=CC5=C(C=C4)OCCO5

InChI

InChI=1S/C23H25N3O5S3/c27-22(6-3-15-32-23-24-18-4-1-2-5-21(18)33-23)25-9-11-26(12-10-25)34(28,29)17-7-8-19-20(16-17)31-14-13-30-19/h1-2,4-5,7-8,16H,3,6,9-15H2