2-[2,4-bis(bromanyl)-6-methyl-phenoxy]-N-[(2-methyl-4-nitro-phenyl)carbamothioyl]ethanamide

Systemtic Name: 2-[2,4-bis(bromanyl)-6-methyl-phenoxy]-N-[(2-methyl-4-nitro-phenyl)carbamothioyl]ethanamide Openeye Name: 2-(2,4-dibromo-6-methyl-phenoxy)-N-[(2-methyl-4-nitro-phenyl)carbamothioyl]acetamide CAS Name: 2-(2,4-dibromo-6-methylphenoxy)-N-[(2-methyl-4-nitroanilino)-sulfanylidenemethyl]acetamide IUPAC Name: 2-(2,4-dibromo-6-methylphenoxy)-N-[(2-methyl-4-nitrophenyl)carbamothioyl]acetamide Traditional Name: 2-(2,4-dibromo-6-methyl-phenoxy)-N-[(2-methyl-4-nitro-phenyl)thiocarbamoyl]acetamide Formula: C17H15Br2N3O4S MolecularWeight: 517.1917

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1OCC(=O)NC(=S)NC2=C(C=C(C=C2)[N+](=O)[O-])C)Br)Br

Isomeric SMILES

CC1=CC(=CC(=C1OCC(=O)NC(=S)NC2=C(C=C(C=C2)[N+](=O)[O-])C)Br)Br

InChI

InChI=1S/C17H15Br2N3O4S/c1-9-6-12(22(24)25)3-4-14(9)20-17(27)21-15(23)8-26-16-10(2)5-11(18)7-13(16)19/h3-7H,8H2,1-2H3,(H2,20,21,23,27)