2-(4-tert-butylphenoxy)-N-[(2-fluoranyl-5-nitro-phenyl)carbamothioyl]ethanamide

Systemtic Name: 2-(4-tert-butylphenoxy)-N-[(2-fluoranyl-5-nitro-phenyl)carbamothioyl]ethanamide Openeye Name: 2-(4-tert-butylphenoxy)-N-[(2-fluoro-5-nitro-phenyl)carbamothioyl]acetamide CAS Name: 2-(4-tert-butylphenoxy)-N-[(2-fluoro-5-nitroanilino)-sulfanylidenemethyl]acetamide IUPAC Name: 2-(4-tert-butylphenoxy)-N-[(2-fluoro-5-nitrophenyl)carbamothioyl]acetamide Traditional Name: 2-(4-tert-butylphenoxy)-N-[(2-fluoro-5-nitro-phenyl)thiocarbamoyl]acetamide Formula: C19H20FN3O4S MolecularWeight: 405.443203

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H20FN3O4S/c1-19(2,3)12-4-7-14(8-5-12)27-11-17(24)22-18(28)21-16-10-13(23(25)26)6-9-15(16)20/h4-10H,11H2,1-3H3,(H2,21,22,24,28)