
 MLS000526436

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M  END

>  <Chemical Name>
MLS000526436

>  <PubChem CID>
9554433

>  <Formula>
C18H31N3S

>  <Molecular Weight>
321.527000

>  <IUPAC Name>
[(E)-1-(3,3,5,5-tetramethyl-1,2,4,6,7,8-hexahydronaphthalen-2-yl)propan-2-ylideneamino]thiourea

>  <XlogP>
3.7

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
2

>  <Canonical SMILES>
CC(=NNC(=S)N)CC1CC2=C(CC1(C)C)C(CCC2)(C)C

>  <Isomeric SMILES>
C/C(=N\NC(=S)N)/CC1CC2=C(CC1(C)C)C(CCC2)(C)C

>  <InChI Std. ID>
InChI=1S/C18H31N3S/c1-12(20-21-16(19)22)9-14-10-13-7-6-8-17(2,3)15(13)11-18(14,4)5/h14H,6-11H2,1-5H3,(H3,19,21,22)/b20-12+

>  <InChI Key>
AAODAXBGVQWVMB-UDWIEESQSA-N

