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

Systemtic Name: N-[[2-methyl-1,3-bis(oxidanylidene)isoindol-5-yl]carbamothioyl]-5-nitro-1-benzothiophene-2-carboxamide Openeye Name: N-[(2-methyl-1,3-dioxo-isoindolin-5-yl)carbamothioyl]-5-nitro-benzothiophene-2-carboxamide CAS Name: N-[[(2-methyl-1,3-dioxo-5-isoindolyl)amino]-sulfanylidenemethyl]-5-nitro-1-benzothiophene-2-carboxamide IUPAC Name: N-[(2-methyl-1,3-dioxoisoindol-5-yl)carbamothioyl]-5-nitro-1-benzothiophene-2-carboxamide Traditional Name: N-[(1,3-diketo-2-methyl-isoindolin-5-yl)thiocarbamoyl]-5-nitro-benzothiophene-2-carboxamide Formula: C19H12N4O5S2 MolecularWeight: 440.45238

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=CC4=C(S3)C=CC(=C4)[N+](=O)[O-]

Isomeric SMILES

CN1C(=O)C2=C(C1=O)C=C(C=C2)NC(=S)NC(=O)C3=CC4=C(S3)C=CC(=C4)[N+](=O)[O-]

InChI

InChI=1S/C19H12N4O5S2/c1-22-17(25)12-4-2-10(8-13(12)18(22)26)20-19(29)21-16(24)15-7-9-6-11(23(27)28)3-5-14(9)30-15/h2-8H,1H3,(H2,20,21,24,29)