
 MLS001035753

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M  END

>  <Chemical Name>
MLS001035753

>  <PubChem CID>
2954096

>  <Formula>
C18H18N2O4S

>  <Molecular Weight>
358.412000

>  <IUPAC Name>
N-[(2-hydroxy-5-propan-2-ylphenyl)carbamothioyl]-1,3-benzodioxole-5-carboxamide

>  <XlogP>
4.1

>  <Hydrogen Bond Donors>
3

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
CC(C)C1=CC(=C(C=C1)O)NC(=S)NC(=O)C2=CC3=C(C=C2)OCO3

>  <Isomeric SMILES>
CC(C)C1=CC(=C(C=C1)O)NC(=S)NC(=O)C2=CC3=C(C=C2)OCO3

>  <InChI Std. ID>
InChI=1S/C18H18N2O4S/c1-10(2)11-3-5-14(21)13(7-11)19-18(25)20-17(22)12-4-6-15-16(8-12)24-9-23-15/h3-8,10,21H,9H2,1-2H3,(H2,19,20,22,25)

>  <InChI Key>
CZQVWFIRDZMZCS-UHFFFAOYSA-N

