N-[(2-bromanyl-4-nitro-phenyl)carbamothioyl]-2-(2,5-dimethylphenoxy)ethanamide

Systemtic Name: N-[(2-bromanyl-4-nitro-phenyl)carbamothioyl]-2-(2,5-dimethylphenoxy)ethanamide Openeye Name: N-[(2-bromo-4-nitro-phenyl)carbamothioyl]-2-(2,5-dimethylphenoxy)acetamide CAS Name: N-[(2-bromo-4-nitroanilino)-sulfanylidenemethyl]-2-(2,5-dimethylphenoxy)acetamide IUPAC Name: N-[(2-bromo-4-nitrophenyl)carbamothioyl]-2-(2,5-dimethylphenoxy)acetamide Traditional Name: N-[(2-bromo-4-nitro-phenyl)thiocarbamoyl]-2-(2,5-dimethylphenoxy)acetamide Formula: C17H16BrN3O4S MolecularWeight: 438.29564

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)OCC(=O)NC(=S)NC2=C(C=C(C=C2)[N+](=O)[O-])Br

Isomeric SMILES

CC1=CC(=C(C=C1)C)OCC(=O)NC(=S)NC2=C(C=C(C=C2)[N+](=O)[O-])Br

InChI

InChI=1S/C17H16BrN3O4S/c1-10-3-4-11(2)15(7-10)25-9-16(22)20-17(26)19-14-6-5-12(21(23)24)8-13(14)18/h3-8H,9H2,1-2H3,(H2,19,20,22,26)