3-(3,4-dimethylphenoxy)pentanethioamide

Systemtic Name: 3-(3,4-dimethylphenoxy)pentanethioamide Openeye Name: 3-(3,4-dimethylphenoxy)pentanethioamide CAS Name: 3-(3,4-dimethylphenoxy)pentanethioamide IUPAC Name: 3-(3,4-dimethylphenoxy)pentanethioamide Traditional Name: 3-(3,4-dimethylphenoxy)thiovaleramide Formula: C13H19NOS MolecularWeight: 237.36106

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC(=S)N)OC1=CC(=C(C=C1)C)C

Isomeric SMILES

CCC(CC(=S)N)OC1=CC(=C(C=C1)C)C

InChI

InChI=1S/C13H19NOS/c1-4-11(8-13(14)16)15-12-6-5-9(2)10(3)7-12/h5-7,11H,4,8H2,1-3H3,(H2,14,16)