N-[[3,5-bis(bromanyl)-4-oxidanyl-phenyl]carbamothioyl]-2-(3,5-dimethylphenoxy)ethanamide

Systemtic Name: N-[[3,5-bis(bromanyl)-4-oxidanyl-phenyl]carbamothioyl]-2-(3,5-dimethylphenoxy)ethanamide Openeye Name: N-[(3,5-dibromo-4-hydroxy-phenyl)carbamothioyl]-2-(3,5-dimethylphenoxy)acetamide CAS Name: N-[(3,5-dibromo-4-hydroxyanilino)-sulfanylidenemethyl]-2-(3,5-dimethylphenoxy)acetamide IUPAC Name: N-[(3,5-dibromo-4-hydroxyphenyl)carbamothioyl]-2-(3,5-dimethylphenoxy)acetamide Traditional Name: N-[(3,5-dibromo-4-hydroxy-phenyl)thiocarbamoyl]-2-(3,5-dimethylphenoxy)acetamide Formula: C17H16Br2N2O3S MolecularWeight: 488.19354

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)OCC(=O)NC(=S)NC2=CC(=C(C(=C2)Br)O)Br)C

Isomeric SMILES

CC1=CC(=CC(=C1)OCC(=O)NC(=S)NC2=CC(=C(C(=C2)Br)O)Br)C

InChI

InChI=1S/C17H16Br2N2O3S/c1-9-3-10(2)5-12(4-9)24-8-15(22)21-17(25)20-11-6-13(18)16(23)14(19)7-11/h3-7,23H,8H2,1-2H3,(H2,20,21,22,25)