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

Systemtic Name: N-[(3S)-1,1-bis(oxidanylidene)thiolan-3-yl]-N-methyl-4-oxidanylidene-3-(phenylmethyl)phthalazine-1-carboxamide Openeye Name: 3-benzyl-N-[(3S)-1,1-dioxothiolan-3-yl]-N-methyl-4-oxo-phthalazine-1-carboxamide CAS Name: N-[(3S)-1,1-dioxo-3-thiolanyl]-N-methyl-4-oxo-3-(phenylmethyl)-1-phthalazinecarboxamide IUPAC Name: 3-benzyl-N-[(3S)-1,1-dioxothiolan-3-yl]-N-methyl-4-oxophthalazine-1-carboxamide Traditional Name: 3-benzyl-N-[(3S)-1,1-diketothiolan-3-yl]-4-keto-N-methyl-phthalazine-1-carboxamide Formula: C21H21N3O4S MolecularWeight: 411.47414

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1CCS(=O)(=O)C1)C(=O)C2=NN(C(=O)C3=CC=CC=C32)CC4=CC=CC=C4

Isomeric SMILES

CN([C@H]1CCS(=O)(=O)C1)C(=O)C2=NN(C(=O)C3=CC=CC=C32)CC4=CC=CC=C4

InChI

InChI=1S/C21H21N3O4S/c1-23(16-11-12-29(27,28)14-16)21(26)19-17-9-5-6-10-18(17)20(25)24(22-19)13-15-7-3-2-4-8-15/h2-10,16H,11-14H2,1H3/t16-/m0/s1