4-[2-[(4-fluorophenyl)methylamino]-2-oxidanylidene-ethyl]sulfanyl-N-(2-methoxyphenyl)-3-nitro-benzamide

Systemtic Name: 4-[2-[(4-fluorophenyl)methylamino]-2-oxidanylidene-ethyl]sulfanyl-N-(2-methoxyphenyl)-3-nitro-benzamide Openeye Name: 4-[2-[(4-fluorophenyl)methylamino]-2-oxo-ethyl]sulfanyl-N-(2-methoxyphenyl)-3-nitro-benzamide CAS Name: 4-[[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]thio]-N-(2-methoxyphenyl)-3-nitrobenzamide IUPAC Name: 4-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]sulfanyl-N-(2-methoxyphenyl)-3-nitrobenzamide Traditional Name: 4-[[2-[(4-fluorobenzyl)amino]-2-keto-ethyl]thio]-N-(2-methoxyphenyl)-3-nitro-benzamide Formula: C23H20FN3O5S MolecularWeight: 469.485403

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1NC(=O)C2=CC(=C(C=C2)SCC(=O)NCC3=CC=C(C=C3)F)[N+](=O)[O-]

Isomeric SMILES

COC1=CC=CC=C1NC(=O)C2=CC(=C(C=C2)SCC(=O)NCC3=CC=C(C=C3)F)[N+](=O)[O-]

InChI

InChI=1S/C23H20FN3O5S/c1-32-20-5-3-2-4-18(20)26-23(29)16-8-11-21(19(12-16)27(30)31)33-14-22(28)25-13-15-6-9-17(24)10-7-15/h2-12H,13-14H2,1H3,(H,25,28)(H,26,29)