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

Systemtic Name: 4-oxidanylidene-3-[2-oxidanylidene-2-[2-(phenylmethylsulfanyl)ethylamino]ethyl]phthalazine-1-carboxamide Openeye Name: 3-[2-(2-benzylsulfanylethylamino)-2-oxo-ethyl]-4-oxo-phthalazine-1-carboxamide CAS Name: 4-oxo-3-[2-oxo-2-[2-(phenylmethylthio)ethylamino]ethyl]-1-phthalazinecarboxamide IUPAC Name: 3-[2-(2-benzylsulfanylethylamino)-2-oxoethyl]-4-oxophthalazine-1-carboxamide Traditional Name: 3-[2-[2-(benzylthio)ethylamino]-2-keto-ethyl]-4-keto-phthalazine-1-carboxamide Formula: C20H20N4O3S MolecularWeight: 396.4628

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSCCNC(=O)CN2C(=O)C3=CC=CC=C3C(=N2)C(=O)N

Isomeric SMILES

C1=CC=C(C=C1)CSCCNC(=O)CN2C(=O)C3=CC=CC=C3C(=N2)C(=O)N

InChI

InChI=1S/C20H20N4O3S/c21-19(26)18-15-8-4-5-9-16(15)20(27)24(23-18)12-17(25)22-10-11-28-13-14-6-2-1-3-7-14/h1-9H,10-13H2,(H2,21,26)(H,22,25)