
 MLS000391056

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M  END

>  <Chemical Name>
MLS000391056

>  <PubChem CID>
4006073

>  <Formula>
C20H27ClN2OS

>  <Molecular Weight>
378.959000

>  <IUPAC Name>
1-[1-(2-chlorophenyl)-2-oxocyclohexyl]-3-cyclohexyl-1-methylthiourea

>  <XlogP>
4.7

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
2

>  <Canonical SMILES>
CN(C(=S)NC1CCCCC1)C2(CCCCC2=O)C3=CC=CC=C3Cl

>  <Isomeric SMILES>
CN(C(=S)NC1CCCCC1)C2(CCCCC2=O)C3=CC=CC=C3Cl

>  <InChI Std. ID>
InChI=1S/C20H27ClN2OS/c1-23(19(25)22-15-9-3-2-4-10-15)20(14-8-7-13-18(20)24)16-11-5-6-12-17(16)21/h5-6,11-12,15H,2-4,7-10,13-14H2,1H3,(H,22,25)

>  <InChI Key>
CBXZCXFSSRYOGA-UHFFFAOYSA-N

