N-[(3-cyano-4,6-dimethyl-2-oxidanylidene-pyridin-1-yl)carbamothioyl]pentanamide

Systemtic Name: N-[(3-cyano-4,6-dimethyl-2-oxidanylidene-pyridin-1-yl)carbamothioyl]pentanamide Openeye Name: N-[(3-cyano-4,6-dimethyl-2-oxo-1-pyridyl)carbamothioyl]pentanamide CAS Name: N-[[(3-cyano-4,6-dimethyl-2-oxo-1-pyridinyl)amino]-sulfanylidenemethyl]pentanamide IUPAC Name: N-[(3-cyano-4,6-dimethyl-2-oxopyridin-1-yl)carbamothioyl]pentanamide Traditional Name: N-[(3-cyano-2-keto-4,6-dimethyl-1-pyridyl)thiocarbamoyl]valeramide Formula: C14H18N4O2S MolecularWeight: 306.38332

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)NC(=S)NN1C(=CC(=C(C1=O)C#N)C)C

Isomeric SMILES

CCCCC(=O)NC(=S)NN1C(=CC(=C(C1=O)C#N)C)C

InChI

InChI=1S/C14H18N4O2S/c1-4-5-6-12(19)16-14(21)17-18-10(3)7-9(2)11(8-15)13(18)20/h7H,4-6H2,1-3H3,(H2,16,17,19,21)