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

Systemtic Name: 5-bromanyl-N-[(3-cyano-4,6-dimethyl-2-oxidanylidene-pyridin-1-yl)carbamothioyl]-2-phenethyloxy-benzamide Openeye Name: 5-bromo-N-[(3-cyano-4,6-dimethyl-2-oxo-1-pyridyl)carbamothioyl]-2-phenethyloxy-benzamide CAS Name: 5-bromo-N-[[(3-cyano-4,6-dimethyl-2-oxo-1-pyridinyl)amino]-sulfanylidenemethyl]-2-phenethyloxybenzamide IUPAC Name: 5-bromo-N-[(3-cyano-4,6-dimethyl-2-oxopyridin-1-yl)carbamothioyl]-2-phenethyloxybenzamide Traditional Name: 5-bromo-N-[(3-cyano-2-keto-4,6-dimethyl-1-pyridyl)thiocarbamoyl]-2-phenethyloxy-benzamide Formula: C24H21BrN4O3S MolecularWeight: 525.41754

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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)OCCC3=CC=CC=C3)C#N)C

Isomeric SMILES

CC1=CC(=C(C(=O)N1NC(=S)NC(=O)C2=C(C=CC(=C2)Br)OCCC3=CC=CC=C3)C#N)C

InChI

InChI=1S/C24H21BrN4O3S/c1-15-12-16(2)29(23(31)20(15)14-26)28-24(33)27-22(30)19-13-18(25)8-9-21(19)32-11-10-17-6-4-3-5-7-17/h3-9,12-13H,10-11H2,1-2H3,(H2,27,28,30,33)