3-(4-methylsulfonylphenoxy)pentanethioamide

Systemtic Name: 3-(4-methylsulfonylphenoxy)pentanethioamide Openeye Name: 3-(4-methylsulfonylphenoxy)pentanethioamide CAS Name: 3-(4-methylsulfonylphenoxy)pentanethioamide IUPAC Name: 3-(4-methylsulfonylphenoxy)pentanethioamide Traditional Name: 3-(4-mesylphenoxy)thiovaleramide Formula: C12H17NO3S2 MolecularWeight: 287.39828

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H17NO3S2/c1-3-9(8-12(13)17)16-10-4-6-11(7-5-10)18(2,14)15/h4-7,9H,3,8H2,1-2H3,(H2,13,17)