4-[2-(1-oxidanylidene-4-thiophen-2-yl-phthalazin-2-yl)ethanoylamino]benzamide

Systemtic Name: 4-[2-(1-oxidanylidene-4-thiophen-2-yl-phthalazin-2-yl)ethanoylamino]benzamide Openeye Name: 4-[[2-[1-oxo-4-(2-thienyl)phthalazin-2-yl]acetyl]amino]benzamide CAS Name: 4-[[1-oxo-2-(1-oxo-4-thiophen-2-yl-2-phthalazinyl)ethyl]amino]benzamide IUPAC Name: 4-[[2-(1-oxo-4-thiophen-2-ylphthalazin-2-yl)acetyl]amino]benzamide Traditional Name: 4-[[2-[1-keto-4-(2-thienyl)phthalazin-2-yl]acetyl]amino]benzamide Formula: C21H16N4O3S MolecularWeight: 404.44174

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=NN(C2=O)CC(=O)NC3=CC=C(C=C3)C(=O)N)C4=CC=CS4

Isomeric SMILES

C1=CC=C2C(=C1)C(=NN(C2=O)CC(=O)NC3=CC=C(C=C3)C(=O)N)C4=CC=CS4

InChI

InChI=1S/C21H16N4O3S/c22-20(27)13-7-9-14(10-8-13)23-18(26)12-25-21(28)16-5-2-1-4-15(16)19(24-25)17-6-3-11-29-17/h1-11H,12H2,(H2,22,27)(H,23,26)