2-(4-bromanyl-5-methyl-2-propan-2-yl-phenoxy)-N-[(2-fluoranyl-5-nitro-phenyl)carbamothioyl]ethanamide

Systemtic Name: 2-(4-bromanyl-5-methyl-2-propan-2-yl-phenoxy)-N-[(2-fluoranyl-5-nitro-phenyl)carbamothioyl]ethanamide Openeye Name: 2-(4-bromo-2-isopropyl-5-methyl-phenoxy)-N-[(2-fluoro-5-nitro-phenyl)carbamothioyl]acetamide CAS Name: 2-(4-bromo-5-methyl-2-propan-2-ylphenoxy)-N-[(2-fluoro-5-nitroanilino)-sulfanylidenemethyl]acetamide IUPAC Name: 2-(4-bromo-5-methyl-2-propan-2-ylphenoxy)-N-[(2-fluoro-5-nitrophenyl)carbamothioyl]acetamide Traditional Name: 2-(4-bromo-2-isopropyl-5-methyl-phenoxy)-N-[(2-fluoro-5-nitro-phenyl)thiocarbamoyl]acetamide Formula: C19H19BrFN3O4S MolecularWeight: 484.339263

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1Br)C(C)C)OCC(=O)NC(=S)NC2=C(C=CC(=C2)[N+](=O)[O-])F

Isomeric SMILES

CC1=CC(=C(C=C1Br)C(C)C)OCC(=O)NC(=S)NC2=C(C=CC(=C2)[N+](=O)[O-])F

InChI

InChI=1S/C19H19BrFN3O4S/c1-10(2)13-8-14(20)11(3)6-17(13)28-9-18(25)23-19(29)22-16-7-12(24(26)27)4-5-15(16)21/h4-8,10H,9H2,1-3H3,(H2,22,23,25,29)