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

Systemtic Name: N-[(4-bromanyl-2-chloranyl-phenyl)carbamothioyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide Openeye Name: N-[(4-bromo-2-chloro-phenyl)carbamothioyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide CAS Name: N-[(4-bromo-2-chloroanilino)-sulfanylidenemethyl]-2,3-dihydro-1,4-benzodioxin-6-carboxamide IUPAC Name: N-[(4-bromo-2-chlorophenyl)carbamothioyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide Traditional Name: N-[(4-bromo-2-chloro-phenyl)thiocarbamoyl]-2,3-dihydro-1,4-benzodioxin-6-carboxamide Formula: C16H12BrClN2O3S MolecularWeight: 427.70008

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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)Cl

Isomeric SMILES

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

InChI

InChI=1S/C16H12BrClN2O3S/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)