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

Systemtic Name: N-[(3-cyano-4,6-dimethyl-2-oxidanylidene-pyridin-1-yl)carbamothioyl]-3-(2-methylpropoxy)benzamide Openeye Name: N-[(3-cyano-4,6-dimethyl-2-oxo-1-pyridyl)carbamothioyl]-3-isobutoxy-benzamide CAS Name: N-[[(3-cyano-4,6-dimethyl-2-oxo-1-pyridinyl)amino]-sulfanylidenemethyl]-3-(2-methylpropoxy)benzamide IUPAC Name: N-[(3-cyano-4,6-dimethyl-2-oxopyridin-1-yl)carbamothioyl]-3-(2-methylpropoxy)benzamide Traditional Name: N-[(3-cyano-2-keto-4,6-dimethyl-1-pyridyl)thiocarbamoyl]-3-isobutoxy-benzamide Formula: C20H22N4O3S MolecularWeight: 398.47868

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22N4O3S/c1-12(2)11-27-16-7-5-6-15(9-16)18(25)22-20(28)23-24-14(4)8-13(3)17(10-21)19(24)26/h5-9,12H,11H2,1-4H3,(H2,22,23,25,28)