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

Systemtic Name: 3-(2-methylpropyl)-4-oxidanylidene-N-[2-(phenylmethylsulfanyl)ethyl]phthalazine-1-carboxamide Openeye Name: N-(2-benzylsulfanylethyl)-3-isobutyl-4-oxo-phthalazine-1-carboxamide CAS Name: 3-(2-methylpropyl)-4-oxo-N-[2-(phenylmethylthio)ethyl]-1-phthalazinecarboxamide IUPAC Name: N-(2-benzylsulfanylethyl)-3-(2-methylpropyl)-4-oxophthalazine-1-carboxamide Traditional Name: N-[2-(benzylthio)ethyl]-3-isobutyl-4-keto-phthalazine-1-carboxamide Formula: C22H25N3O2S MolecularWeight: 395.5178

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NCCSCC3=CC=CC=C3

Isomeric SMILES

CC(C)CN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NCCSCC3=CC=CC=C3

InChI

InChI=1S/C22H25N3O2S/c1-16(2)14-25-22(27)19-11-7-6-10-18(19)20(24-25)21(26)23-12-13-28-15-17-8-4-3-5-9-17/h3-11,16H,12-15H2,1-2H3,(H,23,26)