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

Systemtic Name: N-methyl-4-[2-(1-oxidanylidene-4-thiophen-2-yl-phthalazin-2-yl)ethanoylamino]benzamide Openeye Name: N-methyl-4-[[2-[1-oxo-4-(2-thienyl)phthalazin-2-yl]acetyl]amino]benzamide CAS Name: N-methyl-4-[[1-oxo-2-(1-oxo-4-thiophen-2-yl-2-phthalazinyl)ethyl]amino]benzamide IUPAC Name: N-methyl-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]-N-methyl-benzamide Formula: C22H18N4O3S MolecularWeight: 418.46832

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)C1=CC=C(C=C1)NC(=O)CN2C(=O)C3=CC=CC=C3C(=N2)C4=CC=CS4

Isomeric SMILES

CNC(=O)C1=CC=C(C=C1)NC(=O)CN2C(=O)C3=CC=CC=C3C(=N2)C4=CC=CS4

InChI

InChI=1S/C22H18N4O3S/c1-23-21(28)14-8-10-15(11-9-14)24-19(27)13-26-22(29)17-6-3-2-5-16(17)20(25-26)18-7-4-12-30-18/h2-12H,13H2,1H3,(H,23,28)(H,24,27)