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

Systemtic Name: 3-bromanyl-4-butoxy-N-[(3-cyano-4,6-dimethyl-2-oxidanylidene-pyridin-1-yl)carbamothioyl]benzamide Openeye Name: 3-bromo-4-butoxy-N-[(3-cyano-4,6-dimethyl-2-oxo-1-pyridyl)carbamothioyl]benzamide CAS Name: 3-bromo-4-butoxy-N-[[(3-cyano-4,6-dimethyl-2-oxo-1-pyridinyl)amino]-sulfanylidenemethyl]benzamide IUPAC Name: 3-bromo-4-butoxy-N-[(3-cyano-4,6-dimethyl-2-oxopyridin-1-yl)carbamothioyl]benzamide Traditional Name: 3-bromo-4-butoxy-N-[(3-cyano-2-keto-4,6-dimethyl-1-pyridyl)thiocarbamoyl]benzamide Formula: C20H21BrN4O3S MolecularWeight: 477.37474

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21BrN4O3S/c1-4-5-8-28-17-7-6-14(10-16(17)21)18(26)23-20(29)24-25-13(3)9-12(2)15(11-22)19(25)27/h6-7,9-10H,4-5,8H2,1-3H3,(H2,23,24,26,29)