3-[[[1,1-bis(oxidanylidene)thiolan-3-yl]-(2-methylpropyl)amino]methyl]-N-methyl-4-oxidanylidene-phthalazine-1-carboxamide

Systemtic Name: 3-[[[1,1-bis(oxidanylidene)thiolan-3-yl]-(2-methylpropyl)amino]methyl]-N-methyl-4-oxidanylidene-phthalazine-1-carboxamide Openeye Name: 3-[[(1,1-dioxothiolan-3-yl)-isobutyl-amino]methyl]-N-methyl-4-oxo-phthalazine-1-carboxamide CAS Name: 3-[[(1,1-dioxo-3-thiolanyl)-(2-methylpropyl)amino]methyl]-N-methyl-4-oxo-1-phthalazinecarboxamide IUPAC Name: 3-[[(1,1-dioxothiolan-3-yl)-(2-methylpropyl)amino]methyl]-N-methyl-4-oxophthalazine-1-carboxamide Traditional Name: 3-[[(1,1-diketothiolan-3-yl)-isobutyl-amino]methyl]-4-keto-N-methyl-phthalazine-1-carboxamide Formula: C19H26N4O4S MolecularWeight: 406.49914

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN(CN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC)C3CCS(=O)(=O)C3

Isomeric SMILES

CC(C)CN(CN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC)C3CCS(=O)(=O)C3

InChI

InChI=1S/C19H26N4O4S/c1-13(2)10-22(14-8-9-28(26,27)11-14)12-23-19(25)16-7-5-4-6-15(16)17(21-23)18(24)20-3/h4-7,13-14H,8-12H2,1-3H3,(H,20,24)