3-[methyl(pyridin-4-ylmethyl)amino]pentanethioamide

Systemtic Name: 3-[methyl(pyridin-4-ylmethyl)amino]pentanethioamide Openeye Name: 3-[methyl(4-pyridylmethyl)amino]pentanethioamide CAS Name: 3-[methyl(pyridin-4-ylmethyl)amino]pentanethioamide IUPAC Name: 3-[methyl(pyridin-4-ylmethyl)amino]pentanethioamide Traditional Name: 3-[methyl(4-pyridylmethyl)amino]thiovaleramide Formula: C12H19N3S MolecularWeight: 237.36436

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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