propyl 4-[(3-cyano-4,6-dimethyl-2-oxidanylidene-pyridin-1-yl)carbamothioylamino]-4-oxidanylidene-butanoate

Systemtic Name: propyl 4-[(3-cyano-4,6-dimethyl-2-oxidanylidene-pyridin-1-yl)carbamothioylamino]-4-oxidanylidene-butanoate Openeye Name: propyl 4-[(3-cyano-4,6-dimethyl-2-oxo-1-pyridyl)carbamothioylamino]-4-oxo-butanoate CAS Name: 4-[[[(3-cyano-4,6-dimethyl-2-oxo-1-pyridinyl)amino]-sulfanylidenemethyl]amino]-4-oxobutanoic acid propyl ester IUPAC Name: propyl 4-[(3-cyano-4,6-dimethyl-2-oxopyridin-1-yl)carbamothioylamino]-4-oxobutanoate Traditional Name: 4-[(3-cyano-2-keto-4,6-dimethyl-1-pyridyl)thiocarbamoylamino]-4-keto-butyric acid propyl ester Formula: C16H20N4O4S MolecularWeight: 364.4194

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCOC(=O)CCC(=O)NC(=S)NN1C(=CC(=C(C1=O)C#N)C)C

Isomeric SMILES

CCCOC(=O)CCC(=O)NC(=S)NN1C(=CC(=C(C1=O)C#N)C)C

InChI

InChI=1S/C16H20N4O4S/c1-4-7-24-14(22)6-5-13(21)18-16(25)19-20-11(3)8-10(2)12(9-17)15(20)23/h8H,4-7H2,1-3H3,(H2,18,19,21,25)