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

Systemtic Name: N-[(3-cyano-4,6-dimethyl-2-oxidanylidene-pyridin-1-yl)carbamothioyl]-4-hexoxy-benzamide Openeye Name: N-[(3-cyano-4,6-dimethyl-2-oxo-1-pyridyl)carbamothioyl]-4-hexoxy-benzamide CAS Name: N-[[(3-cyano-4,6-dimethyl-2-oxo-1-pyridinyl)amino]-sulfanylidenemethyl]-4-hexoxybenzamide IUPAC Name: N-[(3-cyano-4,6-dimethyl-2-oxopyridin-1-yl)carbamothioyl]-4-hexoxybenzamide Traditional Name: N-[(3-cyano-2-keto-4,6-dimethyl-1-pyridyl)thiocarbamoyl]-4-hexoxy-benzamide Formula: C22H26N4O3S MolecularWeight: 426.53184

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=CC=C(C=C1)C(=O)NC(=S)NN2C(=CC(=C(C2=O)C#N)C)C

Isomeric SMILES

CCCCCCOC1=CC=C(C=C1)C(=O)NC(=S)NN2C(=CC(=C(C2=O)C#N)C)C

InChI

InChI=1S/C22H26N4O3S/c1-4-5-6-7-12-29-18-10-8-17(9-11-18)20(27)24-22(30)25-26-16(3)13-15(2)19(14-23)21(26)28/h8-11,13H,4-7,12H2,1-3H3,(H2,24,25,27,30)