3-(2-ethoxyethoxy)-N-[(2-fluoranyl-5-nitro-phenyl)carbamothioyl]benzamide

Systemtic Name: 3-(2-ethoxyethoxy)-N-[(2-fluoranyl-5-nitro-phenyl)carbamothioyl]benzamide Openeye Name: 3-(2-ethoxyethoxy)-N-[(2-fluoro-5-nitro-phenyl)carbamothioyl]benzamide CAS Name: 3-(2-ethoxyethoxy)-N-[(2-fluoro-5-nitroanilino)-sulfanylidenemethyl]benzamide IUPAC Name: 3-(2-ethoxyethoxy)-N-[(2-fluoro-5-nitrophenyl)carbamothioyl]benzamide Traditional Name: 3-(2-ethoxyethoxy)-N-[(2-fluoro-5-nitro-phenyl)thiocarbamoyl]benzamide Formula: C18H18FN3O5S MolecularWeight: 407.416023

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Descriptors Computed from Structure

Canonical SMILES:

CCOCCOC1=CC=CC(=C1)C(=O)NC(=S)NC2=C(C=CC(=C2)[N+](=O)[O-])F

Isomeric SMILES

CCOCCOC1=CC=CC(=C1)C(=O)NC(=S)NC2=C(C=CC(=C2)[N+](=O)[O-])F

InChI

InChI=1S/C18H18FN3O5S/c1-2-26-8-9-27-14-5-3-4-12(10-14)17(23)21-18(28)20-16-11-13(22(24)25)6-7-15(16)19/h3-7,10-11H,2,8-9H2,1H3,(H2,20,21,23,28)