ethyl 4-[[2-(1-oxidanylidenephthalazin-2-yl)ethanoylamino]carbamothioylamino]benzoate

Systemtic Name: ethyl 4-[[2-(1-oxidanylidenephthalazin-2-yl)ethanoylamino]carbamothioylamino]benzoate Openeye Name: ethyl 4-[[[2-(1-oxophthalazin-2-yl)acetyl]amino]carbamothioylamino]benzoate CAS Name: 4-[[[[1-oxo-2-(1-oxo-2-phthalazinyl)ethyl]hydrazo]-sulfanylidenemethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[[2-(1-oxophthalazin-2-yl)acetyl]amino]carbamothioylamino]benzoate Traditional Name: 4-[[[2-(1-ketophthalazin-2-yl)acetyl]amino]thiocarbamoylamino]benzoic acid ethyl ester Formula: C20H19N5O4S MolecularWeight: 425.46096

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=S)NNC(=O)CN2C(=O)C3=CC=CC=C3C=N2

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=S)NNC(=O)CN2C(=O)C3=CC=CC=C3C=N2

InChI

InChI=1S/C20H19N5O4S/c1-2-29-19(28)13-7-9-15(10-8-13)22-20(30)24-23-17(26)12-25-18(27)16-6-4-3-5-14(16)11-21-25/h3-11H,2,12H2,1H3,(H,23,26)(H2,22,24,30)