3-(3-pyridin-4-ylpropoxy)pentanethioamide

Systemtic Name: 3-(3-pyridin-4-ylpropoxy)pentanethioamide Openeye Name: 3-[3-(4-pyridyl)propoxy]pentanethioamide CAS Name: 3-(3-pyridin-4-ylpropoxy)pentanethioamide IUPAC Name: 3-(3-pyridin-4-ylpropoxy)pentanethioamide Traditional Name: 3-[3-(4-pyridyl)propoxy]thiovaleramide Formula: C13H20N2OS MolecularWeight: 252.3757

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC(=S)N)OCCCC1=CC=NC=C1

Isomeric SMILES

CCC(CC(=S)N)OCCCC1=CC=NC=C1

InChI

InChI=1S/C13H20N2OS/c1-2-12(10-13(14)17)16-9-3-4-11-5-7-15-8-6-11/h5-8,12H,2-4,9-10H2,1H3,(H2,14,17)