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

Systemtic Name: 5-bromanyl-N-[(3-cyano-4,6-dimethyl-2-oxidanylidene-pyridin-1-yl)carbamothioyl]-2-(3-methylbutoxy)benzamide Openeye Name: 5-bromo-N-[(3-cyano-4,6-dimethyl-2-oxo-1-pyridyl)carbamothioyl]-2-isopentyloxy-benzamide CAS Name: 5-bromo-N-[[(3-cyano-4,6-dimethyl-2-oxo-1-pyridinyl)amino]-sulfanylidenemethyl]-2-(3-methylbutoxy)benzamide IUPAC Name: 5-bromo-N-[(3-cyano-4,6-dimethyl-2-oxopyridin-1-yl)carbamothioyl]-2-(3-methylbutoxy)benzamide Traditional Name: 5-bromo-N-[(3-cyano-2-keto-4,6-dimethyl-1-pyridyl)thiocarbamoyl]-2-isoamoxy-benzamide Formula: C21H23BrN4O3S MolecularWeight: 491.40132

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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)OCCC(C)C)C#N)C

Isomeric SMILES

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

InChI

InChI=1S/C21H23BrN4O3S/c1-12(2)7-8-29-18-6-5-15(22)10-16(18)19(27)24-21(30)25-26-14(4)9-13(3)17(11-23)20(26)28/h5-6,9-10,12H,7-8H2,1-4H3,(H2,24,25,27,30)