2-[1,3-bis(oxidanylidene)isoindol-2-yl]-N-[4-cyano-2-(8-methoxy-4-methyl-quinolin-2-yl)pyrazol-3-yl]-4-methylsulfanyl-butanamide

Systemtic Name: 2-[1,3-bis(oxidanylidene)isoindol-2-yl]-N-[4-cyano-2-(8-methoxy-4-methyl-quinolin-2-yl)pyrazol-3-yl]-4-methylsulfanyl-butanamide Openeye Name: N-[4-cyano-2-(8-methoxy-4-methyl-2-quinolyl)pyrazol-3-yl]-2-(1,3-dioxoisoindolin-2-yl)-4-methylsulfanyl-butanamide CAS Name: N-[4-cyano-2-(8-methoxy-4-methyl-2-quinolinyl)-3-pyrazolyl]-2-(1,3-dioxo-2-isoindolyl)-4-(methylthio)butanamide IUPAC Name: N-[4-cyano-2-(8-methoxy-4-methylquinolin-2-yl)pyrazol-3-yl]-2-(1,3-dioxoisoindol-2-yl)-4-methylsulfanylbutanamide Traditional Name: N-[4-cyano-2-(8-methoxy-4-methyl-2-quinolyl)pyrazol-3-yl]-4-(methylthio)-2-phthalimido-butyramide Formula: C28H24N6O4S MolecularWeight: 540.59296

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC2=C1C=CC=C2OC)N3C(=C(C=N3)C#N)NC(=O)C(CCSC)N4C(=O)C5=CC=CC=C5C4=O

Isomeric SMILES

CC1=CC(=NC2=C1C=CC=C2OC)N3C(=C(C=N3)C#N)NC(=O)C(CCSC)N4C(=O)C5=CC=CC=C5C4=O

InChI

InChI=1S/C28H24N6O4S/c1-16-13-23(31-24-18(16)9-6-10-22(24)38-2)34-25(17(14-29)15-30-34)32-26(35)21(11-12-39-3)33-27(36)19-7-4-5-8-20(19)28(33)37/h4-10,13,15,21H,11-12H2,1-3H3,(H,32,35)