3-nitro-N-[(5Z)-5-[(4-octoxyphenyl)methylidene]-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-3-yl]benzamide

Systemtic Name: 3-nitro-N-[(5Z)-5-[(4-octoxyphenyl)methylidene]-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-3-yl]benzamide Openeye Name: 3-nitro-N-[(5Z)-5-[(4-octoxyphenyl)methylene]-4-oxo-2-thioxo-thiazolidin-3-yl]benzamide CAS Name: 3-nitro-N-[(5Z)-5-[(4-octoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-3-thiazolidinyl]benzamide IUPAC Name: 3-nitro-N-[(5Z)-5-[(4-octoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]benzamide Traditional Name: N-[(5Z)-4-keto-5-(4-octoxybenzylidene)-2-thioxo-thiazolidin-3-yl]-3-nitro-benzamide Formula: C25H27N3O5S2 MolecularWeight: 513.62898

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=CC=C(C=C1)C=C2C(=O)N(C(=S)S2)NC(=O)C3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CCCCCCCCOC1=CC=C(C=C1)/C=C\2/C(=O)N(C(=S)S2)NC(=O)C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C25H27N3O5S2/c1-2-3-4-5-6-7-15-33-21-13-11-18(12-14-21)16-22-24(30)27(25(34)35-22)26-23(29)19-9-8-10-20(17-19)28(31)32/h8-14,16-17H,2-7,15H2,1H3,(H,26,29)/b22-16-