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

Systemtic Name: N-[(3-cyano-4,6-dimethyl-2-oxidanylidene-pyridin-1-yl)carbamothioyl]-2-pentoxy-benzamide Openeye Name: N-[(3-cyano-4,6-dimethyl-2-oxo-1-pyridyl)carbamothioyl]-2-pentoxy-benzamide CAS Name: N-[[(3-cyano-4,6-dimethyl-2-oxo-1-pyridinyl)amino]-sulfanylidenemethyl]-2-pentoxybenzamide IUPAC Name: N-[(3-cyano-4,6-dimethyl-2-oxopyridin-1-yl)carbamothioyl]-2-pentoxybenzamide Traditional Name: 2-amoxy-N-[(3-cyano-2-keto-4,6-dimethyl-1-pyridyl)thiocarbamoyl]benzamide Formula: C21H24N4O3S MolecularWeight: 412.50526

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=CC=CC=C1C(=O)NC(=S)NN2C(=CC(=C(C2=O)C#N)C)C

Isomeric SMILES

CCCCCOC1=CC=CC=C1C(=O)NC(=S)NN2C(=CC(=C(C2=O)C#N)C)C

InChI

InChI=1S/C21H24N4O3S/c1-4-5-8-11-28-18-10-7-6-9-16(18)19(26)23-21(29)24-25-15(3)12-14(2)17(13-22)20(25)27/h6-7,9-10,12H,4-5,8,11H2,1-3H3,(H2,23,24,26,29)