4-[2-[[3-[(4-fluorophenyl)methoxy]phenyl]amino]-2-oxidanylidene-ethyl]sulfanyl-3-nitro-benzamide

Systemtic Name: 4-[2-[[3-[(4-fluorophenyl)methoxy]phenyl]amino]-2-oxidanylidene-ethyl]sulfanyl-3-nitro-benzamide Openeye Name: 4-[2-[3-[(4-fluorophenyl)methoxy]anilino]-2-oxo-ethyl]sulfanyl-3-nitro-benzamide CAS Name: 4-[[2-[3-[(4-fluorophenyl)methoxy]anilino]-2-oxoethyl]thio]-3-nitrobenzamide IUPAC Name: 4-[2-[3-[(4-fluorophenyl)methoxy]anilino]-2-oxoethyl]sulfanyl-3-nitrobenzamide Traditional Name: 4-[[2-[3-(4-fluorobenzyl)oxyanilino]-2-keto-ethyl]thio]-3-nitro-benzamide Formula: C22H18FN3O5S MolecularWeight: 455.458823

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)OCC2=CC=C(C=C2)F)NC(=O)CSC3=C(C=C(C=C3)C(=O)N)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC(=C1)OCC2=CC=C(C=C2)F)NC(=O)CSC3=C(C=C(C=C3)C(=O)N)[N+](=O)[O-]

InChI

InChI=1S/C22H18FN3O5S/c23-16-7-4-14(5-8-16)12-31-18-3-1-2-17(11-18)25-21(27)13-32-20-9-6-15(22(24)28)10-19(20)26(29)30/h1-11H,12-13H2,(H2,24,28)(H,25,27)