N'-[(3R)-1,1-bis(oxidanylidene)thiolan-3-yl]carbonyl-3-(2-methylpropyl)-4-oxidanylidene-phthalazine-1-carbohydrazide

Systemtic Name: N'-[(3R)-1,1-bis(oxidanylidene)thiolan-3-yl]carbonyl-3-(2-methylpropyl)-4-oxidanylidene-phthalazine-1-carbohydrazide Openeye Name: N'-[(3R)-1,1-dioxothiolane-3-carbonyl]-3-isobutyl-4-oxo-phthalazine-1-carbohydrazide CAS Name: N'-[[(3R)-1,1-dioxo-3-thiolanyl]-oxomethyl]-3-(2-methylpropyl)-4-oxo-1-phthalazinecarbohydrazide IUPAC Name: N'-[(3R)-1,1-dioxothiolane-3-carbonyl]-3-(2-methylpropyl)-4-oxophthalazine-1-carbohydrazide Traditional Name: N'-[(3R)-1,1-diketothiolane-3-carbonyl]-3-isobutyl-4-keto-phthalazine-1-carbohydrazide Formula: C18H22N4O5S MolecularWeight: 406.45608

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC(C)CN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NNC(=O)[C@H]3CCS(=O)(=O)C3

InChI

InChI=1S/C18H22N4O5S/c1-11(2)9-22-18(25)14-6-4-3-5-13(14)15(21-22)17(24)20-19-16(23)12-7-8-28(26,27)10-12/h3-6,11-12H,7-10H2,1-2H3,(H,19,23)(H,20,24)/t12-/m0/s1