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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=CC2=C1N=C(S2)N3CCN(CC3)C(=O)CCCSCC4=CC=CC=C4

Isomeric SMILES

CS(=O)(=O)C1=CC=CC2=C1N=C(S2)N3CCN(CC3)C(=O)CCCSCC4=CC=CC=C4

InChI

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