2-[1,3-bis(oxidanylidene)isoindol-2-yl]-N-[(2-methoxy-5-nitro-phenyl)carbamothioyl]ethanamide

Systemtic Name: 2-[1,3-bis(oxidanylidene)isoindol-2-yl]-N-[(2-methoxy-5-nitro-phenyl)carbamothioyl]ethanamide Openeye Name: 2-(1,3-dioxoisoindolin-2-yl)-N-[(2-methoxy-5-nitro-phenyl)carbamothioyl]acetamide CAS Name: 2-(1,3-dioxo-2-isoindolyl)-N-[(2-methoxy-5-nitroanilino)-sulfanylidenemethyl]acetamide IUPAC Name: 2-(1,3-dioxoisoindol-2-yl)-N-[(2-methoxy-5-nitrophenyl)carbamothioyl]acetamide Traditional Name: N-[(2-methoxy-5-nitro-phenyl)thiocarbamoyl]-2-phthalimido-acetamide Formula: C18H14N4O6S MolecularWeight: 414.39196

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)[N+](=O)[O-])NC(=S)NC(=O)CN2C(=O)C3=CC=CC=C3C2=O

Isomeric SMILES

COC1=C(C=C(C=C1)[N+](=O)[O-])NC(=S)NC(=O)CN2C(=O)C3=CC=CC=C3C2=O

InChI

InChI=1S/C18H14N4O6S/c1-28-14-7-6-10(22(26)27)8-13(14)19-18(29)20-15(23)9-21-16(24)11-4-2-3-5-12(11)17(21)25/h2-8H,9H2,1H3,(H2,19,20,23,29)