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

Systemtic Name: 5-bromanyl-N-[(3-cyano-4,6-dimethyl-2-oxidanylidene-pyridin-1-yl)carbamothioyl]-2-(2-methylpropoxy)benzamide Openeye Name: 5-bromo-N-[(3-cyano-4,6-dimethyl-2-oxo-1-pyridyl)carbamothioyl]-2-isobutoxy-benzamide CAS Name: 5-bromo-N-[[(3-cyano-4,6-dimethyl-2-oxo-1-pyridinyl)amino]-sulfanylidenemethyl]-2-(2-methylpropoxy)benzamide IUPAC Name: 5-bromo-N-[(3-cyano-4,6-dimethyl-2-oxopyridin-1-yl)carbamothioyl]-2-(2-methylpropoxy)benzamide Traditional Name: 5-bromo-N-[(3-cyano-2-keto-4,6-dimethyl-1-pyridyl)thiocarbamoyl]-2-isobutoxy-benzamide Formula: C20H21BrN4O3S MolecularWeight: 477.37474

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=O)N1NC(=S)NC(=O)C2=C(C=CC(=C2)Br)OCC(C)C)C#N)C

Isomeric SMILES

CC1=CC(=C(C(=O)N1NC(=S)NC(=O)C2=C(C=CC(=C2)Br)OCC(C)C)C#N)C

InChI

InChI=1S/C20H21BrN4O3S/c1-11(2)10-28-17-6-5-14(21)8-15(17)18(26)23-20(29)24-25-13(4)7-12(3)16(9-22)19(25)27/h5-8,11H,10H2,1-4H3,(H2,23,24,26,29)