3-[2-[[(1R)-1-(1H-benzimidazol-2-yl)-3-methylsulfanyl-propyl]amino]-2-oxidanylidene-ethyl]-4-oxidanylidene-phthalazine-1-carboxamide

Systemtic Name: 3-[2-[[(1R)-1-(1H-benzimidazol-2-yl)-3-methylsulfanyl-propyl]amino]-2-oxidanylidene-ethyl]-4-oxidanylidene-phthalazine-1-carboxamide Openeye Name: 3-[2-[[(1R)-1-(1H-benzimidazol-2-yl)-3-methylsulfanyl-propyl]amino]-2-oxo-ethyl]-4-oxo-phthalazine-1-carboxamide CAS Name: 3-[2-[[(1R)-1-(1H-benzimidazol-2-yl)-3-(methylthio)propyl]amino]-2-oxoethyl]-4-oxo-1-phthalazinecarboxamide IUPAC Name: 3-[2-[[(1R)-1-(1H-benzimidazol-2-yl)-3-methylsulfanylpropyl]amino]-2-oxoethyl]-4-oxophthalazine-1-carboxamide Traditional Name: 3-[2-[[(1R)-1-(1H-benzimidazol-2-yl)-3-(methylthio)propyl]amino]-2-keto-ethyl]-4-keto-phthalazine-1-carboxamide Formula: C22H22N6O3S MolecularWeight: 450.51348

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C1=NC2=CC=CC=C2N1)NC(=O)CN3C(=O)C4=CC=CC=C4C(=N3)C(=O)N

Isomeric SMILES

CSCC[C@H](C1=NC2=CC=CC=C2N1)NC(=O)CN3C(=O)C4=CC=CC=C4C(=N3)C(=O)N

InChI

InChI=1S/C22H22N6O3S/c1-32-11-10-17(21-25-15-8-4-5-9-16(15)26-21)24-18(29)12-28-22(31)14-7-3-2-6-13(14)19(27-28)20(23)30/h2-9,17H,10-12H2,1H3,(H2,23,30)(H,24,29)(H,25,26)/t17-/m1/s1