3-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]propanethioamide

Systemtic Name: 3-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]propanethioamide Openeye Name: 3-[4-(1,1,3,3-tetramethylbutyl)phenoxy]propanethioamide CAS Name: 3-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]propanethioamide IUPAC Name: 3-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]propanethioamide Traditional Name: 3-[4-(1,1,3,3-tetramethylbutyl)phenoxy]thiopropionamide Formula: C17H27NOS MolecularWeight: 293.46738

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CC(C)(C)C1=CC=C(C=C1)OCCC(=S)N

Isomeric SMILES

CC(C)(C)CC(C)(C)C1=CC=C(C=C1)OCCC(=S)N

InChI

InChI=1S/C17H27NOS/c1-16(2,3)12-17(4,5)13-6-8-14(9-7-13)19-11-10-15(18)20/h6-9H,10-12H2,1-5H3,(H2,18,20)