
 CHEMBL197796

 65 68  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CHEMBL197796

>  <PubChem CID>
44403105

>  <Formula>
C24H33N5O2S

>  <Molecular Weight>
455.621000

>  <IUPAC Name>
N-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]-4-(4-methylsulfanylphenyl)piperazine-1-carboxamide

>  <XlogP>
3.1

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
6

>  <Canonical SMILES>
CN1CCN(CC1)C2=C(C=CC(=C2)NC(=O)N3CCN(CC3)C4=CC=C(C=C4)SC)OC

>  <Isomeric SMILES>
CN1CCN(CC1)C2=C(C=CC(=C2)NC(=O)N3CCN(CC3)C4=CC=C(C=C4)SC)OC

>  <InChI Std. ID>
InChI=1S/C24H33N5O2S/c1-26-10-12-28(13-11-26)22-18-19(4-9-23(22)31-2)25-24(30)29-16-14-27(15-17-29)20-5-7-21(32-3)8-6-20/h4-9,18H,10-17H2,1-3H3,(H,25,30)

>  <InChI Key>
BNXUKTBRYQQOIZ-UHFFFAOYSA-N

