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

Systemtic Name: N-[(3-cyano-4,6-dimethyl-2-oxidanylidene-pyridin-1-yl)carbamothioyl]-2-(3-methylbutoxy)benzamide Openeye Name: N-[(3-cyano-4,6-dimethyl-2-oxo-1-pyridyl)carbamothioyl]-2-isopentyloxy-benzamide CAS Name: N-[[(3-cyano-4,6-dimethyl-2-oxo-1-pyridinyl)amino]-sulfanylidenemethyl]-2-(3-methylbutoxy)benzamide IUPAC Name: N-[(3-cyano-4,6-dimethyl-2-oxopyridin-1-yl)carbamothioyl]-2-(3-methylbutoxy)benzamide Traditional Name: N-[(3-cyano-2-keto-4,6-dimethyl-1-pyridyl)thiocarbamoyl]-2-isoamoxy-benzamide Formula: C21H24N4O3S MolecularWeight: 412.50526

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=O)N1NC(=S)NC(=O)C2=CC=CC=C2OCCC(C)C)C#N)C

Isomeric SMILES

CC1=CC(=C(C(=O)N1NC(=S)NC(=O)C2=CC=CC=C2OCCC(C)C)C#N)C

InChI

InChI=1S/C21H24N4O3S/c1-13(2)9-10-28-18-8-6-5-7-16(18)19(26)23-21(29)24-25-15(4)11-14(3)17(12-22)20(25)27/h5-8,11,13H,9-10H2,1-4H3,(H2,23,24,26,29)