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

Systemtic Name: 1-[4-(6-methylsulfonyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-4-phenylsulfanyl-butan-1-one Openeye Name: 1-[4-(6-methylsulfonyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-4-phenylsulfanyl-butan-1-one CAS Name: 1-[4-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-1-piperazinyl]-4-(phenylthio)-1-butanone IUPAC Name: 1-[4-(6-methylsulfonyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-4-phenylsulfanylbutan-1-one Traditional Name: 1-[4-(6-mesyl-1,3-benzothiazol-2-yl)piperazino]-4-(phenylthio)butan-1-one Formula: C22H25N3O3S3 MolecularWeight: 475.6472

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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)CCCSC4=CC=CC=C4

Isomeric SMILES

CS(=O)(=O)C1=CC2=C(C=C1)N=C(S2)N3CCN(CC3)C(=O)CCCSC4=CC=CC=C4

InChI

InChI=1S/C22H25N3O3S3/c1-31(27,28)18-9-10-19-20(16-18)30-22(23-19)25-13-11-24(12-14-25)21(26)8-5-15-29-17-6-3-2-4-7-17/h2-4,6-7,9-10,16H,5,8,11-15H2,1H3