4-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxidanylidene-ethyl]sulfanyl-N-(4-chloranyl-2-fluoranyl-phenyl)-3-nitro-benzamide

Systemtic Name: 4-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxidanylidene-ethyl]sulfanyl-N-(4-chloranyl-2-fluoranyl-phenyl)-3-nitro-benzamide Openeye Name: 4-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxo-ethyl]sulfanyl-N-(4-chloro-2-fluoro-phenyl)-3-nitro-benzamide CAS Name: 4-[[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl]thio]-N-(4-chloro-2-fluorophenyl)-3-nitrobenzamide IUPAC Name: 4-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl]sulfanyl-N-(4-chloro-2-fluorophenyl)-3-nitrobenzamide Traditional Name: N-(4-chloro-2-fluoro-phenyl)-4-[[2-keto-2-(piperonylamino)ethyl]thio]-3-nitro-benzamide Formula: C23H17ClFN3O6S MolecularWeight: 517.913983

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CNC(=O)CSC3=C(C=C(C=C3)C(=O)NC4=C(C=C(C=C4)Cl)F)[N+](=O)[O-]

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CNC(=O)CSC3=C(C=C(C=C3)C(=O)NC4=C(C=C(C=C4)Cl)F)[N+](=O)[O-]

InChI

InChI=1S/C23H17ClFN3O6S/c24-15-3-4-17(16(25)9-15)27-23(30)14-2-6-21(18(8-14)28(31)32)35-11-22(29)26-10-13-1-5-19-20(7-13)34-12-33-19/h1-9H,10-12H2,(H,26,29)(H,27,30)