2-methyl-N-[5-[(6-nitro-1,3-benzodioxol-5-yl)methylidene]-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-3-yl]benzamide

Systemtic Name: 2-methyl-N-[5-[(6-nitro-1,3-benzodioxol-5-yl)methylidene]-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-3-yl]benzamide Openeye Name: 2-methyl-N-[5-[(6-nitro-1,3-benzodioxol-5-yl)methylene]-4-oxo-2-thioxo-thiazolidin-3-yl]benzamide CAS Name: 2-methyl-N-[5-[(6-nitro-1,3-benzodioxol-5-yl)methylidene]-4-oxo-2-sulfanylidene-3-thiazolidinyl]benzamide IUPAC Name: 2-methyl-N-[5-[(6-nitro-1,3-benzodioxol-5-yl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]benzamide Traditional Name: N-[4-keto-5-[(6-nitro-1,3-benzodioxol-5-yl)methylene]-2-thioxo-thiazolidin-3-yl]-2-methyl-benzamide Formula: C19H13N3O6S2 MolecularWeight: 443.45302

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=O)NN2C(=O)C(=CC3=CC4=C(C=C3[N+](=O)[O-])OCO4)SC2=S

Isomeric SMILES

CC1=CC=CC=C1C(=O)NN2C(=O)C(=CC3=CC4=C(C=C3[N+](=O)[O-])OCO4)SC2=S

InChI

InChI=1S/C19H13N3O6S2/c1-10-4-2-3-5-12(10)17(23)20-21-18(24)16(30-19(21)29)7-11-6-14-15(28-9-27-14)8-13(11)22(25)26/h2-8H,9H2,1H3,(H,20,23)