2-[[1,3-benzothiazol-2-ylmethyl(methyl)amino]methyl]-4-nitro-isoindole-1,3-dione

Systemtic Name: 2-[[1,3-benzothiazol-2-ylmethyl(methyl)amino]methyl]-4-nitro-isoindole-1,3-dione Openeye Name: 2-[[1,3-benzothiazol-2-ylmethyl(methyl)amino]methyl]-4-nitro-isoindoline-1,3-dione CAS Name: 2-[[1,3-benzothiazol-2-ylmethyl(methyl)amino]methyl]-4-nitroisoindole-1,3-dione IUPAC Name: 2-[[1,3-benzothiazol-2-ylmethyl(methyl)amino]methyl]-4-nitroisoindole-1,3-dione Traditional Name: 2-[[1,3-benzothiazol-2-ylmethyl(methyl)amino]methyl]-4-nitro-isoindoline-1,3-quinone Formula: C18H14N4O4S MolecularWeight: 382.39316

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=NC2=CC=CC=C2S1)CN3C(=O)C4=C(C3=O)C(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

CN(CC1=NC2=CC=CC=C2S1)CN3C(=O)C4=C(C3=O)C(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C18H14N4O4S/c1-20(9-15-19-12-6-2-3-8-14(12)27-15)10-21-17(23)11-5-4-7-13(22(25)26)16(11)18(21)24/h2-8H,9-10H2,1H3