5-bromanyl-N-[[(3-bromanyl-4-methoxy-phenyl)carbonylamino]carbamothioyl]-2-hexoxy-benzamide

Systemtic Name: 5-bromanyl-N-[[(3-bromanyl-4-methoxy-phenyl)carbonylamino]carbamothioyl]-2-hexoxy-benzamide Openeye Name: 5-bromo-N-[[(3-bromo-4-methoxy-benzoyl)amino]carbamothioyl]-2-hexoxy-benzamide CAS Name: 5-bromo-N-[[[(3-bromo-4-methoxyphenyl)-oxomethyl]hydrazo]-sulfanylidenemethyl]-2-hexoxybenzamide IUPAC Name: 5-bromo-N-[[(3-bromo-4-methoxybenzoyl)amino]carbamothioyl]-2-hexoxybenzamide Traditional Name: 5-bromo-N-[[(3-bromo-4-methoxy-benzoyl)amino]thiocarbamoyl]-2-hexoxy-benzamide Formula: C22H25Br2N3O4S MolecularWeight: 587.3246

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=C(C=C(C=C1)Br)C(=O)NC(=S)NNC(=O)C2=CC(=C(C=C2)OC)Br

Isomeric SMILES

CCCCCCOC1=C(C=C(C=C1)Br)C(=O)NC(=S)NNC(=O)C2=CC(=C(C=C2)OC)Br

InChI

InChI=1S/C22H25Br2N3O4S/c1-3-4-5-6-11-31-18-10-8-15(23)13-16(18)21(29)25-22(32)27-26-20(28)14-7-9-19(30-2)17(24)12-14/h7-10,12-13H,3-6,11H2,1-2H3,(H,26,28)(H2,25,27,29,32)