2-[1,3-bis(oxidanylidene)isoindol-2-yl]-N-(6-nitro-1,3-benzothiazol-2-yl)-3-phenyl-propanamide

Systemtic Name: 2-[1,3-bis(oxidanylidene)isoindol-2-yl]-N-(6-nitro-1,3-benzothiazol-2-yl)-3-phenyl-propanamide Openeye Name: 2-(1,3-dioxoisoindolin-2-yl)-N-(6-nitro-1,3-benzothiazol-2-yl)-3-phenyl-propanamide CAS Name: 2-(1,3-dioxo-2-isoindolyl)-N-(6-nitro-1,3-benzothiazol-2-yl)-3-phenylpropanamide IUPAC Name: 2-(1,3-dioxoisoindol-2-yl)-N-(6-nitro-1,3-benzothiazol-2-yl)-3-phenylpropanamide Traditional Name: N-(6-nitro-1,3-benzothiazol-2-yl)-3-phenyl-2-phthalimido-propionamide Formula: C24H16N4O5S MolecularWeight: 472.47264

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(C(=O)NC2=NC3=C(S2)C=C(C=C3)[N+](=O)[O-])N4C(=O)C5=CC=CC=C5C4=O

Isomeric SMILES

C1=CC=C(C=C1)CC(C(=O)NC2=NC3=C(S2)C=C(C=C3)[N+](=O)[O-])N4C(=O)C5=CC=CC=C5C4=O

InChI

InChI=1S/C24H16N4O5S/c29-21(26-24-25-18-11-10-15(28(32)33)13-20(18)34-24)19(12-14-6-2-1-3-7-14)27-22(30)16-8-4-5-9-17(16)23(27)31/h1-11,13,19H,12H2,(H,25,26,29)