
 MLS000696629

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M  END

>  <Chemical Name>
MLS000696629

>  <PubChem CID>
12006126

>  <Formula>
C23H28N4O3S2

>  <Molecular Weight>
472.622000

>  <IUPAC Name>
N'-(4,6-dimethyl-1,3-benzothiazol-2-yl)-4-(3,5-dimethylpiperidin-1-yl)sulfonylbenzohydrazide

>  <XlogP>
5.5

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
7

>  <Canonical SMILES>
CC1CC(CN(C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)NNC3=NC4=C(C=C(C=C4S3)C)C)C

>  <Isomeric SMILES>
CC1CC(CN(C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)NNC3=NC4=C(C=C(C=C4S3)C)C)C

>  <InChI Std. ID>
InChI=1S/C23H28N4O3S2/c1-14-10-17(4)21-20(11-14)31-23(24-21)26-25-22(28)18-5-7-19(8-6-18)32(29,30)27-12-15(2)9-16(3)13-27/h5-8,10-11,15-16H,9,12-13H2,1-4H3,(H,24,26)(H,25,28)

>  <InChI Key>
LZVBTZGFYLELRU-UHFFFAOYSA-N

