N-methyl-4-oxidanylidene-3-[2-oxidanylidene-2-(2-phenylsulfanylethylamino)ethyl]phthalazine-1-carboxamide

Systemtic Name: N-methyl-4-oxidanylidene-3-[2-oxidanylidene-2-(2-phenylsulfanylethylamino)ethyl]phthalazine-1-carboxamide Openeye Name: N-methyl-4-oxo-3-[2-oxo-2-(2-phenylsulfanylethylamino)ethyl]phthalazine-1-carboxamide CAS Name: N-methyl-4-oxo-3-[2-oxo-2-[2-(phenylthio)ethylamino]ethyl]-1-phthalazinecarboxamide IUPAC Name: N-methyl-4-oxo-3-[2-oxo-2-(2-phenylsulfanylethylamino)ethyl]phthalazine-1-carboxamide Traditional Name: 4-keto-3-[2-keto-2-[2-(phenylthio)ethylamino]ethyl]-N-methyl-phthalazine-1-carboxamide Formula: C20H20N4O3S MolecularWeight: 396.4628

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)C1=NN(C(=O)C2=CC=CC=C21)CC(=O)NCCSC3=CC=CC=C3

Isomeric SMILES

CNC(=O)C1=NN(C(=O)C2=CC=CC=C21)CC(=O)NCCSC3=CC=CC=C3

InChI

InChI=1S/C20H20N4O3S/c1-21-19(26)18-15-9-5-6-10-16(15)20(27)24(23-18)13-17(25)22-11-12-28-14-7-3-2-4-8-14/h2-10H,11-13H2,1H3,(H,21,26)(H,22,25)