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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)[N+](=O)[O-])NC(=S)NC(=O)COC2=C(C=C(C=C2)Br)C

Isomeric SMILES

CC1=C(C=CC(=C1)[N+](=O)[O-])NC(=S)NC(=O)COC2=C(C=C(C=C2)Br)C

InChI

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