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

Systemtic Name: 2-[1,3-bis(oxidanylidene)isoindol-2-yl]-N-[(2-methyl-5-nitro-phenyl)carbamothioyl]ethanamide Openeye Name: 2-(1,3-dioxoisoindolin-2-yl)-N-[(2-methyl-5-nitro-phenyl)carbamothioyl]acetamide CAS Name: 2-(1,3-dioxo-2-isoindolyl)-N-[(2-methyl-5-nitroanilino)-sulfanylidenemethyl]acetamide IUPAC Name: 2-(1,3-dioxoisoindol-2-yl)-N-[(2-methyl-5-nitrophenyl)carbamothioyl]acetamide Traditional Name: N-[(2-methyl-5-nitro-phenyl)thiocarbamoyl]-2-phthalimido-acetamide Formula: C18H14N4O5S MolecularWeight: 398.39256

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)[N+](=O)[O-])NC(=S)NC(=O)CN2C(=O)C3=CC=CC=C3C2=O

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])NC(=S)NC(=O)CN2C(=O)C3=CC=CC=C3C2=O

InChI

InChI=1S/C18H14N4O5S/c1-10-6-7-11(22(26)27)8-14(10)19-18(28)20-15(23)9-21-16(24)12-4-2-3-5-13(12)17(21)25/h2-8H,9H2,1H3,(H2,19,20,23,28)