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

Systemtic Name: 4-(4-chlorophenyl)sulfanyl-1-[4-(6-methylsulfonyl-1,3-benzothiazol-2-yl)piperazin-1-yl]butan-1-one Openeye Name: 4-(4-chlorophenyl)sulfanyl-1-[4-(6-methylsulfonyl-1,3-benzothiazol-2-yl)piperazin-1-yl]butan-1-one CAS Name: 4-[(4-chlorophenyl)thio]-1-[4-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-1-piperazinyl]-1-butanone IUPAC Name: 4-(4-chlorophenyl)sulfanyl-1-[4-(6-methylsulfonyl-1,3-benzothiazol-2-yl)piperazin-1-yl]butan-1-one Traditional Name: 4-[(4-chlorophenyl)thio]-1-[4-(6-mesyl-1,3-benzothiazol-2-yl)piperazino]butan-1-one Formula: C22H24ClN3O3S3 MolecularWeight: 510.09226

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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=C(C=C4)Cl

Isomeric SMILES

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

InChI

InChI=1S/C22H24ClN3O3S3/c1-32(28,29)18-8-9-19-20(15-18)31-22(24-19)26-12-10-25(11-13-26)21(27)3-2-14-30-17-6-4-16(23)5-7-17/h4-9,15H,2-3,10-14H2,1H3