N-[[2-methyl-1,3-bis(oxidanylidene)isoindol-5-yl]carbamothioyl]-2-morpholin-4-yl-5-nitro-benzamide

Systemtic Name: N-[[2-methyl-1,3-bis(oxidanylidene)isoindol-5-yl]carbamothioyl]-2-morpholin-4-yl-5-nitro-benzamide Openeye Name: N-[(2-methyl-1,3-dioxo-isoindolin-5-yl)carbamothioyl]-2-morpholino-5-nitro-benzamide CAS Name: N-[[(2-methyl-1,3-dioxo-5-isoindolyl)amino]-sulfanylidenemethyl]-2-(4-morpholinyl)-5-nitrobenzamide IUPAC Name: N-[(2-methyl-1,3-dioxoisoindol-5-yl)carbamothioyl]-2-morpholin-4-yl-5-nitrobenzamide Traditional Name: N-[(1,3-diketo-2-methyl-isoindolin-5-yl)thiocarbamoyl]-2-morpholino-5-nitro-benzamide Formula: C21H19N5O6S MolecularWeight: 469.47046

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C2=C(C1=O)C=C(C=C2)NC(=S)NC(=O)C3=C(C=CC(=C3)[N+](=O)[O-])N4CCOCC4

Isomeric SMILES

CN1C(=O)C2=C(C1=O)C=C(C=C2)NC(=S)NC(=O)C3=C(C=CC(=C3)[N+](=O)[O-])N4CCOCC4

InChI

InChI=1S/C21H19N5O6S/c1-24-19(28)14-4-2-12(10-15(14)20(24)29)22-21(33)23-18(27)16-11-13(26(30)31)3-5-17(16)25-6-8-32-9-7-25/h2-5,10-11H,6-9H2,1H3,(H2,22,23,27,33)