
 MLS001223940

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M  END

>  <Chemical Name>
MLS001223940

>  <PubChem CID>
17263474

>  <Formula>
C18H21FN2S

>  <Molecular Weight>
316.438000

>  <IUPAC Name>
1-[1-(2,4-dimethylphenyl)ethyl]-3-[(4-fluorophenyl)methyl]thiourea

>  <XlogP>
4.2

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
2

>  <Canonical SMILES>
CC1=CC(=C(C=C1)C(C)NC(=S)NCC2=CC=C(C=C2)F)C

>  <Isomeric SMILES>
CC1=CC(=C(C=C1)C(C)NC(=S)NCC2=CC=C(C=C2)F)C

>  <InChI Std. ID>
InChI=1S/C18H21FN2S/c1-12-4-9-17(13(2)10-12)14(3)21-18(22)20-11-15-5-7-16(19)8-6-15/h4-10,14H,11H2,1-3H3,(H2,20,21,22)

>  <InChI Key>
ARIGVURYRMAIFM-UHFFFAOYSA-N

