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

Systemtic Name: 3-[[[(3S)-1,1-bis(oxidanylidene)thiolan-3-yl]-methyl-amino]methyl]-N-methyl-4-oxidanylidene-phthalazine-1-carboxamide Openeye Name: 3-[[[(3S)-1,1-dioxothiolan-3-yl]-methyl-amino]methyl]-N-methyl-4-oxo-phthalazine-1-carboxamide CAS Name: 3-[[[(3S)-1,1-dioxo-3-thiolanyl]-methylamino]methyl]-N-methyl-4-oxo-1-phthalazinecarboxamide IUPAC Name: 3-[[[(3S)-1,1-dioxothiolan-3-yl]-methylamino]methyl]-N-methyl-4-oxophthalazine-1-carboxamide Traditional Name: 3-[[[(3S)-1,1-diketothiolan-3-yl]-methyl-amino]methyl]-4-keto-N-methyl-phthalazine-1-carboxamide Formula: C16H20N4O4S MolecularWeight: 364.4194

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)C1=NN(C(=O)C2=CC=CC=C21)CN(C)C3CCS(=O)(=O)C3

Isomeric SMILES

CNC(=O)C1=NN(C(=O)C2=CC=CC=C21)CN(C)[C@H]3CCS(=O)(=O)C3

InChI

InChI=1S/C16H20N4O4S/c1-17-15(21)14-12-5-3-4-6-13(12)16(22)20(18-14)10-19(2)11-7-8-25(23,24)9-11/h3-6,11H,7-10H2,1-2H3,(H,17,21)/t11-/m0/s1