1-[4-(6-methylsulfanyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-4-(phenylmethyl)sulfonyl-butan-1-one

Systemtic Name: 1-[4-(6-methylsulfanyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-4-(phenylmethyl)sulfonyl-butan-1-one Openeye Name: 4-benzylsulfonyl-1-[4-(6-methylsulfanyl-1,3-benzothiazol-2-yl)piperazin-1-yl]butan-1-one CAS Name: 1-[4-[6-(methylthio)-1,3-benzothiazol-2-yl]-1-piperazinyl]-4-(phenylmethyl)sulfonyl-1-butanone IUPAC Name: 4-benzylsulfonyl-1-[4-(6-methylsulfanyl-1,3-benzothiazol-2-yl)piperazin-1-yl]butan-1-one Traditional Name: 4-benzylsulfonyl-1-[4-[6-(methylthio)-1,3-benzothiazol-2-yl]piperazino]butan-1-one Formula: C23H27N3O3S3 MolecularWeight: 489.67378

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC2=C(C=C1)N=C(S2)N3CCN(CC3)C(=O)CCCS(=O)(=O)CC4=CC=CC=C4

Isomeric SMILES

CSC1=CC2=C(C=C1)N=C(S2)N3CCN(CC3)C(=O)CCCS(=O)(=O)CC4=CC=CC=C4

InChI

InChI=1S/C23H27N3O3S3/c1-30-19-9-10-20-21(16-19)31-23(24-20)26-13-11-25(12-14-26)22(27)8-5-15-32(28,29)17-18-6-3-2-4-7-18/h2-4,6-7,9-10,16H,5,8,11-15,17H2,1H3