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

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

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C2=CC=CC=C2C(=N1)C(=O)N(CC3=CC=CC=C3)C4CCS(=O)(=O)C4

Isomeric SMILES

CN1C(=O)C2=CC=CC=C2C(=N1)C(=O)N(CC3=CC=CC=C3)[C@H]4CCS(=O)(=O)C4

InChI

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