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

Systemtic Name: 5-bromanyl-N-[(3-cyano-4,6-dimethyl-2-oxidanylidene-pyridin-1-yl)carbamothioyl]-2-hexoxy-benzamide Openeye Name: 5-bromo-N-[(3-cyano-4,6-dimethyl-2-oxo-1-pyridyl)carbamothioyl]-2-hexoxy-benzamide CAS Name: 5-bromo-N-[[(3-cyano-4,6-dimethyl-2-oxo-1-pyridinyl)amino]-sulfanylidenemethyl]-2-hexoxybenzamide IUPAC Name: 5-bromo-N-[(3-cyano-4,6-dimethyl-2-oxopyridin-1-yl)carbamothioyl]-2-hexoxybenzamide Traditional Name: 5-bromo-N-[(3-cyano-2-keto-4,6-dimethyl-1-pyridyl)thiocarbamoyl]-2-hexoxy-benzamide Formula: C22H25BrN4O3S MolecularWeight: 505.4279

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H25BrN4O3S/c1-4-5-6-7-10-30-19-9-8-16(23)12-17(19)20(28)25-22(31)26-27-15(3)11-14(2)18(13-24)21(27)29/h8-9,11-12H,4-7,10H2,1-3H3,(H2,25,26,28,31)