N-(3-acetamidophenyl)-2-(1-oxidanylidene-4-thiophen-2-yl-phthalazin-2-yl)ethanamide

Systemtic Name: N-(3-acetamidophenyl)-2-(1-oxidanylidene-4-thiophen-2-yl-phthalazin-2-yl)ethanamide Openeye Name: N-(3-acetamidophenyl)-2-[1-oxo-4-(2-thienyl)phthalazin-2-yl]acetamide CAS Name: N-(3-acetamidophenyl)-2-(1-oxo-4-thiophen-2-yl-2-phthalazinyl)acetamide IUPAC Name: N-(3-acetamidophenyl)-2-(1-oxo-4-thiophen-2-ylphthalazin-2-yl)acetamide Traditional Name: N-(3-acetamidophenyl)-2-[1-keto-4-(2-thienyl)phthalazin-2-yl]acetamide Formula: C22H18N4O3S MolecularWeight: 418.46832

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC(=CC=C1)NC(=O)CN2C(=O)C3=CC=CC=C3C(=N2)C4=CC=CS4

Isomeric SMILES

CC(=O)NC1=CC(=CC=C1)NC(=O)CN2C(=O)C3=CC=CC=C3C(=N2)C4=CC=CS4

InChI

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