3-[butylsulfonyl(pyridin-3-ylmethyl)amino]propanethioamide

Systemtic Name: 3-[butylsulfonyl(pyridin-3-ylmethyl)amino]propanethioamide Openeye Name: 3-[butylsulfonyl(3-pyridylmethyl)amino]propanethioamide CAS Name: 3-[butylsulfonyl(3-pyridinylmethyl)amino]propanethioamide IUPAC Name: 3-[butylsulfonyl(pyridin-3-ylmethyl)amino]propanethioamide Traditional Name: 3-[butylsulfonyl(3-pyridylmethyl)amino]thiopropionamide Formula: C13H21N3O2S2 MolecularWeight: 315.45474

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Descriptors Computed from Structure

Canonical SMILES:

CCCCS(=O)(=O)N(CCC(=S)N)CC1=CN=CC=C1

Isomeric SMILES

CCCCS(=O)(=O)N(CCC(=S)N)CC1=CN=CC=C1

InChI

InChI=1S/C13H21N3O2S2/c1-2-3-9-20(17,18)16(8-6-13(14)19)11-12-5-4-7-15-10-12/h4-5,7,10H,2-3,6,8-9,11H2,1H3,(H2,14,19)