4-oxidanylidene-3-[2-oxidanylidene-2-[[2-(phenylmethylsulfanyl)phenyl]amino]ethyl]phthalazine-1-carboxamide

Systemtic Name: 4-oxidanylidene-3-[2-oxidanylidene-2-[[2-(phenylmethylsulfanyl)phenyl]amino]ethyl]phthalazine-1-carboxamide Openeye Name: 3-[2-(2-benzylsulfanylanilino)-2-oxo-ethyl]-4-oxo-phthalazine-1-carboxamide CAS Name: 4-oxo-3-[2-oxo-2-[2-(phenylmethylthio)anilino]ethyl]-1-phthalazinecarboxamide IUPAC Name: 3-[2-(2-benzylsulfanylanilino)-2-oxoethyl]-4-oxophthalazine-1-carboxamide Traditional Name: 3-[2-[2-(benzylthio)anilino]-2-keto-ethyl]-4-keto-phthalazine-1-carboxamide Formula: C24H20N4O3S MolecularWeight: 444.5056

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSC2=CC=CC=C2NC(=O)CN3C(=O)C4=CC=CC=C4C(=N3)C(=O)N

Isomeric SMILES

C1=CC=C(C=C1)CSC2=CC=CC=C2NC(=O)CN3C(=O)C4=CC=CC=C4C(=N3)C(=O)N

InChI

InChI=1S/C24H20N4O3S/c25-23(30)22-17-10-4-5-11-18(17)24(31)28(27-22)14-21(29)26-19-12-6-7-13-20(19)32-15-16-8-2-1-3-9-16/h1-13H,14-15H2,(H2,25,30)(H,26,29)