1-[4-(6-methylsulfonyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-4-(phenylmethylsulfanyl)butan-1-one

Systemtic Name: 1-[4-(6-methylsulfonyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-4-(phenylmethylsulfanyl)butan-1-one Openeye Name: 4-benzylsulfanyl-1-[4-(6-methylsulfonyl-1,3-benzothiazol-2-yl)piperazin-1-yl]butan-1-one CAS Name: 1-[4-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-1-piperazinyl]-4-(phenylmethylthio)-1-butanone IUPAC Name: 4-benzylsulfanyl-1-[4-(6-methylsulfonyl-1,3-benzothiazol-2-yl)piperazin-1-yl]butan-1-one Traditional Name: 4-(benzylthio)-1-[4-(6-mesyl-1,3-benzothiazol-2-yl)piperazino]butan-1-one Formula: C23H27N3O3S3 MolecularWeight: 489.67378

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC2=C(C=C1)N=C(S2)N3CCN(CC3)C(=O)CCCSCC4=CC=CC=C4

Isomeric SMILES

CS(=O)(=O)C1=CC2=C(C=C1)N=C(S2)N3CCN(CC3)C(=O)CCCSCC4=CC=CC=C4

InChI

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