N-[3-[1-[(3-chloranyl-4-fluoranyl-phenyl)amino]-1-oxidanylidene-butan-2-yl]sulfanylphenyl]-4-nitro-benzamide

Systemtic Name: N-[3-[1-[(3-chloranyl-4-fluoranyl-phenyl)amino]-1-oxidanylidene-butan-2-yl]sulfanylphenyl]-4-nitro-benzamide Openeye Name: N-[3-[1-[(3-chloro-4-fluoro-phenyl)carbamoyl]propylsulfanyl]phenyl]-4-nitro-benzamide CAS Name: N-[3-[[1-(3-chloro-4-fluoroanilino)-1-oxobutan-2-yl]thio]phenyl]-4-nitrobenzamide IUPAC Name: N-[3-[1-(3-chloro-4-fluoroanilino)-1-oxobutan-2-yl]sulfanylphenyl]-4-nitrobenzamide Traditional Name: N-[3-[1-[(3-chloro-4-fluoro-phenyl)carbamoyl]propylthio]phenyl]-4-nitro-benzamide Formula: C23H19ClFN3O4S MolecularWeight: 487.931063

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=CC(=C(C=C1)F)Cl)SC2=CC=CC(=C2)NC(=O)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CCC(C(=O)NC1=CC(=C(C=C1)F)Cl)SC2=CC=CC(=C2)NC(=O)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C23H19ClFN3O4S/c1-2-21(23(30)27-16-8-11-20(25)19(24)13-16)33-18-5-3-4-15(12-18)26-22(29)14-6-9-17(10-7-14)28(31)32/h3-13,21H,2H2,1H3,(H,26,29)(H,27,30)