4-(1,3-benzothiazol-2-ylsulfanyl)-1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]butan-1-one

Systemtic Name: 4-(1,3-benzothiazol-2-ylsulfanyl)-1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]butan-1-one Openeye Name: 4-(1,3-benzothiazol-2-ylsulfanyl)-1-[4-(p-tolylsulfonyl)piperazin-1-yl]butan-1-one CAS Name: 4-(1,3-benzothiazol-2-ylthio)-1-[4-(4-methylphenyl)sulfonyl-1-piperazinyl]-1-butanone IUPAC Name: 4-(1,3-benzothiazol-2-ylsulfanyl)-1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]butan-1-one Traditional Name: 4-(1,3-benzothiazol-2-ylthio)-1-(4-tosylpiperazino)butan-1-one Formula: C22H25N3O3S3 MolecularWeight: 475.6472

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)CCCSC3=NC4=CC=CC=C4S3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)CCCSC3=NC4=CC=CC=C4S3

InChI

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