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

Systemtic Name: N-[1,1-bis(oxidanylidene)thiolan-3-yl]-3-methyl-N-(2-methylpropyl)-4-oxidanylidene-phthalazine-1-carboxamide Openeye Name: N-(1,1-dioxothiolan-3-yl)-N-isobutyl-3-methyl-4-oxo-phthalazine-1-carboxamide CAS Name: N-(1,1-dioxo-3-thiolanyl)-3-methyl-N-(2-methylpropyl)-4-oxo-1-phthalazinecarboxamide IUPAC Name: N-(1,1-dioxothiolan-3-yl)-3-methyl-N-(2-methylpropyl)-4-oxophthalazine-1-carboxamide Traditional Name: N-(1,1-diketothiolan-3-yl)-N-isobutyl-4-keto-3-methyl-phthalazine-1-carboxamide Formula: C18H23N3O4S MolecularWeight: 377.45792

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN(C1CCS(=O)(=O)C1)C(=O)C2=NN(C(=O)C3=CC=CC=C32)C

Isomeric SMILES

CC(C)CN(C1CCS(=O)(=O)C1)C(=O)C2=NN(C(=O)C3=CC=CC=C32)C

InChI

InChI=1S/C18H23N3O4S/c1-12(2)10-21(13-8-9-26(24,25)11-13)18(23)16-14-6-4-5-7-15(14)17(22)20(3)19-16/h4-7,12-13H,8-11H2,1-3H3