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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)N(C)C3CCS(=O)(=O)C3

Isomeric SMILES

CCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)N(C)C3CCS(=O)(=O)C3

InChI

InChI=1S/C18H23N3O4S/c1-3-4-10-21-17(22)15-8-6-5-7-14(15)16(19-21)18(23)20(2)13-9-11-26(24,25)12-13/h5-8,13H,3-4,9-12H2,1-2H3