N-(4-chloranyl-2-fluoranyl-phenyl)-3-nitro-4-[2-oxidanylidene-2-(phenethylamino)ethyl]sulfanyl-benzamide

Systemtic Name: N-(4-chloranyl-2-fluoranyl-phenyl)-3-nitro-4-[2-oxidanylidene-2-(phenethylamino)ethyl]sulfanyl-benzamide Openeye Name: N-(4-chloro-2-fluoro-phenyl)-3-nitro-4-[2-oxo-2-(phenethylamino)ethyl]sulfanyl-benzamide CAS Name: N-(4-chloro-2-fluorophenyl)-3-nitro-4-[[2-oxo-2-(phenethylamino)ethyl]thio]benzamide IUPAC Name: N-(4-chloro-2-fluorophenyl)-3-nitro-4-[2-oxo-2-(phenethylamino)ethyl]sulfanylbenzamide Traditional Name: N-(4-chloro-2-fluoro-phenyl)-4-[[2-keto-2-(phenethylamino)ethyl]thio]-3-nitro-benzamide Formula: C23H19ClFN3O4S MolecularWeight: 487.931063

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCNC(=O)CSC2=C(C=C(C=C2)C(=O)NC3=C(C=C(C=C3)Cl)F)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CCNC(=O)CSC2=C(C=C(C=C2)C(=O)NC3=C(C=C(C=C3)Cl)F)[N+](=O)[O-]

InChI

InChI=1S/C23H19ClFN3O4S/c24-17-7-8-19(18(25)13-17)27-23(30)16-6-9-21(20(12-16)28(31)32)33-14-22(29)26-11-10-15-4-2-1-3-5-15/h1-9,12-13H,10-11,14H2,(H,26,29)(H,27,30)