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

Systemtic Name: 3-butoxy-N-[(3-cyano-4,6-dimethyl-2-oxidanylidene-pyridin-1-yl)carbamothioyl]benzamide Openeye Name: 3-butoxy-N-[(3-cyano-4,6-dimethyl-2-oxo-1-pyridyl)carbamothioyl]benzamide CAS Name: 3-butoxy-N-[[(3-cyano-4,6-dimethyl-2-oxo-1-pyridinyl)amino]-sulfanylidenemethyl]benzamide IUPAC Name: 3-butoxy-N-[(3-cyano-4,6-dimethyl-2-oxopyridin-1-yl)carbamothioyl]benzamide Traditional Name: 3-butoxy-N-[(3-cyano-2-keto-4,6-dimethyl-1-pyridyl)thiocarbamoyl]benzamide Formula: C20H22N4O3S MolecularWeight: 398.47868

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=CC(=C1)C(=O)NC(=S)NN2C(=CC(=C(C2=O)C#N)C)C

Isomeric SMILES

CCCCOC1=CC=CC(=C1)C(=O)NC(=S)NN2C(=CC(=C(C2=O)C#N)C)C

InChI

InChI=1S/C20H22N4O3S/c1-4-5-9-27-16-8-6-7-15(11-16)18(25)22-20(28)23-24-14(3)10-13(2)17(12-21)19(24)26/h6-8,10-11H,4-5,9H2,1-3H3,(H2,22,23,25,28)