N-[1,1-bis(oxidanylidene)thiolan-3-yl]-N-(2-methylpropyl)-2-(1-oxidanylidene-4-thiophen-2-yl-phthalazin-2-yl)ethanamide

Systemtic Name: N-[1,1-bis(oxidanylidene)thiolan-3-yl]-N-(2-methylpropyl)-2-(1-oxidanylidene-4-thiophen-2-yl-phthalazin-2-yl)ethanamide Openeye Name: N-(1,1-dioxothiolan-3-yl)-N-isobutyl-2-[1-oxo-4-(2-thienyl)phthalazin-2-yl]acetamide CAS Name: N-(1,1-dioxo-3-thiolanyl)-N-(2-methylpropyl)-2-(1-oxo-4-thiophen-2-yl-2-phthalazinyl)acetamide IUPAC Name: N-(1,1-dioxothiolan-3-yl)-N-(2-methylpropyl)-2-(1-oxo-4-thiophen-2-ylphthalazin-2-yl)acetamide Traditional Name: N-(1,1-diketothiolan-3-yl)-N-isobutyl-2-[1-keto-4-(2-thienyl)phthalazin-2-yl]acetamide Formula: C22H25N3O4S2 MolecularWeight: 459.5816

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN(C1CCS(=O)(=O)C1)C(=O)CN2C(=O)C3=CC=CC=C3C(=N2)C4=CC=CS4

Isomeric SMILES

CC(C)CN(C1CCS(=O)(=O)C1)C(=O)CN2C(=O)C3=CC=CC=C3C(=N2)C4=CC=CS4

InChI

InChI=1S/C22H25N3O4S2/c1-15(2)12-24(16-9-11-31(28,29)14-16)20(26)13-25-22(27)18-7-4-3-6-17(18)21(23-25)19-8-5-10-30-19/h3-8,10,15-16H,9,11-14H2,1-2H3