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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=O)N1NC(=S)NC(=O)CC(C)C)C#N)C

Isomeric SMILES

CC1=CC(=C(C(=O)N1NC(=S)NC(=O)CC(C)C)C#N)C

InChI

InChI=1S/C14H18N4O2S/c1-8(2)5-12(19)16-14(21)17-18-10(4)6-9(3)11(7-15)13(18)20/h6,8H,5H2,1-4H3,(H2,16,17,19,21)