N-(pyridin-3-ylmethylcarbamothioyl)hexanamide

Systemtic Name: N-(pyridin-3-ylmethylcarbamothioyl)hexanamide Openeye Name: N-(3-pyridylmethylcarbamothioyl)hexanamide CAS Name: N-[(3-pyridinylmethylamino)-sulfanylidenemethyl]hexanamide IUPAC Name: N-(pyridin-3-ylmethylcarbamothioyl)hexanamide Traditional Name: N-(3-pyridylmethylthiocarbamoyl)hexanamide Formula: C13H19N3OS MolecularWeight: 265.37446

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=O)NC(=S)NCC1=CN=CC=C1

Isomeric SMILES

CCCCCC(=O)NC(=S)NCC1=CN=CC=C1

InChI

InChI=1S/C13H19N3OS/c1-2-3-4-7-12(17)16-13(18)15-10-11-6-5-8-14-9-11/h5-6,8-9H,2-4,7,10H2,1H3,(H2,15,16,17,18)