3-[pyridin-3-ylmethyl(pyrrolidin-1-ylsulfonyl)amino]propanethioamide

Systemtic Name: 3-[pyridin-3-ylmethyl(pyrrolidin-1-ylsulfonyl)amino]propanethioamide Openeye Name: 3-[3-pyridylmethyl(pyrrolidin-1-ylsulfonyl)amino]propanethioamide CAS Name: 3-[3-pyridinylmethyl(1-pyrrolidinylsulfonyl)amino]propanethioamide IUPAC Name: 3-[pyridin-3-ylmethyl(pyrrolidin-1-ylsulfonyl)amino]propanethioamide Traditional Name: 3-[3-pyridylmethyl(pyrrolidinosulfonyl)amino]thiopropionamide Formula: C13H20N4O2S2 MolecularWeight: 328.4535

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)N(CCC(=S)N)CC2=CN=CC=C2

Isomeric SMILES

C1CCN(C1)S(=O)(=O)N(CCC(=S)N)CC2=CN=CC=C2

InChI

InChI=1S/C13H20N4O2S2/c14-13(20)5-9-17(11-12-4-3-6-15-10-12)21(18,19)16-7-1-2-8-16/h3-4,6,10H,1-2,5,7-9,11H2,(H2,14,20)