3-(3,5-dimethylphenoxy)-2-methyl-propanethioamide

Systemtic Name: 3-(3,5-dimethylphenoxy)-2-methyl-propanethioamide Openeye Name: 3-(3,5-dimethylphenoxy)-2-methyl-propanethioamide CAS Name: 3-(3,5-dimethylphenoxy)-2-methylpropanethioamide IUPAC Name: 3-(3,5-dimethylphenoxy)-2-methylpropanethioamide Traditional Name: 3-(3,5-dimethylphenoxy)-2-methyl-thiopropionamide Formula: C12H17NOS MolecularWeight: 223.33448

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)OCC(C)C(=S)N)C

Isomeric SMILES

CC1=CC(=CC(=C1)OCC(C)C(=S)N)C

InChI

InChI=1S/C12H17NOS/c1-8-4-9(2)6-11(5-8)14-7-10(3)12(13)15/h4-6,10H,7H2,1-3H3,(H2,13,15)