3-bromanyl-4-tert-butyl-N-[(2-fluoranyl-5-nitro-phenyl)carbamothioyl]benzamide

Systemtic Name: 3-bromanyl-4-tert-butyl-N-[(2-fluoranyl-5-nitro-phenyl)carbamothioyl]benzamide Openeye Name: 3-bromo-4-tert-butyl-N-[(2-fluoro-5-nitro-phenyl)carbamothioyl]benzamide CAS Name: 3-bromo-4-tert-butyl-N-[(2-fluoro-5-nitroanilino)-sulfanylidenemethyl]benzamide IUPAC Name: 3-bromo-4-tert-butyl-N-[(2-fluoro-5-nitrophenyl)carbamothioyl]benzamide Traditional Name: 3-bromo-4-tert-butyl-N-[(2-fluoro-5-nitro-phenyl)thiocarbamoyl]benzamide Formula: C18H17BrFN3O3S MolecularWeight: 454.313283

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H17BrFN3O3S/c1-18(2,3)12-6-4-10(8-13(12)19)16(24)22-17(27)21-15-9-11(23(25)26)5-7-14(15)20/h4-9H,1-3H3,(H2,21,22,24,27)