3-[methyl(pyridin-3-ylmethyl)amino]pentanethioamide

Systemtic Name: 3-[methyl(pyridin-3-ylmethyl)amino]pentanethioamide Openeye Name: 3-[methyl(3-pyridylmethyl)amino]pentanethioamide CAS Name: 3-[methyl(3-pyridinylmethyl)amino]pentanethioamide IUPAC Name: 3-[methyl(pyridin-3-ylmethyl)amino]pentanethioamide Traditional Name: 3-[methyl(3-pyridylmethyl)amino]thiovaleramide Formula: C12H19N3S MolecularWeight: 237.36436

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC(=S)N)N(C)CC1=CN=CC=C1

Isomeric SMILES

CCC(CC(=S)N)N(C)CC1=CN=CC=C1

InChI

InChI=1S/C12H19N3S/c1-3-11(7-12(13)16)15(2)9-10-5-4-6-14-8-10/h4-6,8,11H,3,7,9H2,1-2H3,(H2,13,16)