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

Systemtic Name: N-[(3-cyano-4,6-dimethyl-2-oxidanylidene-pyridin-1-yl)carbamothioyl]-4-heptoxy-benzamide Openeye Name: N-[(3-cyano-4,6-dimethyl-2-oxo-1-pyridyl)carbamothioyl]-4-heptoxy-benzamide CAS Name: N-[[(3-cyano-4,6-dimethyl-2-oxo-1-pyridinyl)amino]-sulfanylidenemethyl]-4-heptoxybenzamide IUPAC Name: N-[(3-cyano-4,6-dimethyl-2-oxopyridin-1-yl)carbamothioyl]-4-heptoxybenzamide Traditional Name: N-[(3-cyano-2-keto-4,6-dimethyl-1-pyridyl)thiocarbamoyl]-4-heptoxy-benzamide Formula: C23H28N4O3S MolecularWeight: 440.55842

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOC1=CC=C(C=C1)C(=O)NC(=S)NN2C(=CC(=C(C2=O)C#N)C)C

Isomeric SMILES

CCCCCCCOC1=CC=C(C=C1)C(=O)NC(=S)NN2C(=CC(=C(C2=O)C#N)C)C

InChI

InChI=1S/C23H28N4O3S/c1-4-5-6-7-8-13-30-19-11-9-18(10-12-19)21(28)25-23(31)26-27-17(3)14-16(2)20(15-24)22(27)29/h9-12,14H,4-8,13H2,1-3H3,(H2,25,26,28,31)