N-[(4-bromanyl-2-iodanyl-phenyl)carbamothioyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide

Systemtic Name: N-[(4-bromanyl-2-iodanyl-phenyl)carbamothioyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide Openeye Name: N-[(4-bromo-2-iodo-phenyl)carbamothioyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide CAS Name: N-[(4-bromo-2-iodoanilino)-sulfanylidenemethyl]-2,3-dihydro-1,4-benzodioxin-6-carboxamide IUPAC Name: N-[(4-bromo-2-iodophenyl)carbamothioyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide Traditional Name: N-[(4-bromo-2-iodo-phenyl)thiocarbamoyl]-2,3-dihydro-1,4-benzodioxin-6-carboxamide Formula: C16H12BrIN2O3S MolecularWeight: 519.15155

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(O1)C=CC(=C2)C(=O)NC(=S)NC3=C(C=C(C=C3)Br)I

Isomeric SMILES

C1COC2=C(O1)C=CC(=C2)C(=O)NC(=S)NC3=C(C=C(C=C3)Br)I

InChI

InChI=1S/C16H12BrIN2O3S/c17-10-2-3-12(11(18)8-10)19-16(24)20-15(21)9-1-4-13-14(7-9)23-6-5-22-13/h1-4,7-8H,5-6H2,(H2,19,20,21,24)