3-chloranyl-4-ethoxy-N-[(4-fluoranyl-3-nitro-phenyl)carbamothioyl]benzamide

Systemtic Name: 3-chloranyl-4-ethoxy-N-[(4-fluoranyl-3-nitro-phenyl)carbamothioyl]benzamide Openeye Name: 3-chloro-4-ethoxy-N-[(4-fluoro-3-nitro-phenyl)carbamothioyl]benzamide CAS Name: 3-chloro-4-ethoxy-N-[(4-fluoro-3-nitroanilino)-sulfanylidenemethyl]benzamide IUPAC Name: 3-chloro-4-ethoxy-N-[(4-fluoro-3-nitrophenyl)carbamothioyl]benzamide Traditional Name: 3-chloro-4-ethoxy-N-[(4-fluoro-3-nitro-phenyl)thiocarbamoyl]benzamide Formula: C16H13ClFN3O4S MolecularWeight: 397.808523

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC(=C(C=C2)F)[N+](=O)[O-])Cl

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC(=C(C=C2)F)[N+](=O)[O-])Cl

InChI

InChI=1S/C16H13ClFN3O4S/c1-2-25-14-6-3-9(7-11(14)17)15(22)20-16(26)19-10-4-5-12(18)13(8-10)21(23)24/h3-8H,2H2,1H3,(H2,19,20,22,26)