6-[(5Z)-5-(1,3-benzodioxol-5-ylmethylidene)-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-3-yl]-N-(5-nitro-2-oxidanyl-phenyl)hexanamide

Systemtic Name: 6-[(5Z)-5-(1,3-benzodioxol-5-ylmethylidene)-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-3-yl]-N-(5-nitro-2-oxidanyl-phenyl)hexanamide Openeye Name: 6-[(5Z)-5-(1,3-benzodioxol-5-ylmethylene)-4-oxo-2-thioxo-thiazolidin-3-yl]-N-(2-hydroxy-5-nitro-phenyl)hexanamide CAS Name: 6-[(5Z)-5-(1,3-benzodioxol-5-ylmethylidene)-4-oxo-2-sulfanylidene-3-thiazolidinyl]-N-(2-hydroxy-5-nitrophenyl)hexanamide IUPAC Name: 6-[(5Z)-5-(1,3-benzodioxol-5-ylmethylidene)-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-N-(2-hydroxy-5-nitrophenyl)hexanamide Traditional Name: N-(2-hydroxy-5-nitro-phenyl)-6-[(5Z)-4-keto-5-piperonylidene-2-thioxo-thiazolidin-3-yl]hexanamide Formula: C23H21N3O7S2 MolecularWeight: 515.55874

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C=C3C(=O)N(C(=S)S3)CCCCCC(=O)NC4=C(C=CC(=C4)[N+](=O)[O-])O

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)/C=C\3/C(=O)N(C(=S)S3)CCCCCC(=O)NC4=C(C=CC(=C4)[N+](=O)[O-])O

InChI

InChI=1S/C23H21N3O7S2/c27-17-7-6-15(26(30)31)12-16(17)24-21(28)4-2-1-3-9-25-22(29)20(35-23(25)34)11-14-5-8-18-19(10-14)33-13-32-18/h5-8,10-12,27H,1-4,9,13H2,(H,24,28)/b20-11-