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

Systemtic Name: N-[4-[1-[(3-chloranyl-4-fluoranyl-phenyl)amino]-1-oxidanylidene-propan-2-yl]sulfanylphenyl]-3-nitro-benzamide Openeye Name: N-[4-[2-(3-chloro-4-fluoro-anilino)-1-methyl-2-oxo-ethyl]sulfanylphenyl]-3-nitro-benzamide CAS Name: N-[4-[[1-(3-chloro-4-fluoroanilino)-1-oxopropan-2-yl]thio]phenyl]-3-nitrobenzamide IUPAC Name: N-[4-[1-(3-chloro-4-fluoroanilino)-1-oxopropan-2-yl]sulfanylphenyl]-3-nitrobenzamide Traditional Name: N-[4-[[2-(3-chloro-4-fluoro-anilino)-2-keto-1-methyl-ethyl]thio]phenyl]-3-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=C(C=C2)NC(=O)C3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

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

InChI

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