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

Systemtic Name: N-[3-[1-[(3-chloranyl-4-fluoranyl-phenyl)amino]-1-oxidanylidene-propan-2-yl]sulfanylphenyl]-4-nitro-benzamide Openeye Name: N-[3-[2-(3-chloro-4-fluoro-anilino)-1-methyl-2-oxo-ethyl]sulfanylphenyl]-4-nitro-benzamide CAS Name: N-[3-[[1-(3-chloro-4-fluoroanilino)-1-oxopropan-2-yl]thio]phenyl]-4-nitrobenzamide IUPAC Name: N-[3-[1-(3-chloro-4-fluoroanilino)-1-oxopropan-2-yl]sulfanylphenyl]-4-nitrobenzamide Traditional Name: N-[3-[[2-(3-chloro-4-fluoro-anilino)-2-keto-1-methyl-ethyl]thio]phenyl]-4-nitro-benzamide Formula: C22H17ClFN3O4S MolecularWeight: 473.904483

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Descriptors Computed from Structure

Canonical SMILES:

CC(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

CC(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/C22H17ClFN3O4S/c1-13(21(28)25-16-7-10-20(24)19(23)12-16)32-18-4-2-3-15(11-18)26-22(29)14-5-8-17(9-6-14)27(30)31/h2-13H,1H3,(H,25,28)(H,26,29)