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

Systemtic Name: 5-bromanyl-N-[[(3-bromanyl-4-methyl-phenyl)carbonylamino]carbamothioyl]-2-hexoxy-benzamide Openeye Name: 5-bromo-N-[[(3-bromo-4-methyl-benzoyl)amino]carbamothioyl]-2-hexoxy-benzamide CAS Name: 5-bromo-N-[[[(3-bromo-4-methylphenyl)-oxomethyl]hydrazo]-sulfanylidenemethyl]-2-hexoxybenzamide IUPAC Name: 5-bromo-N-[[(3-bromo-4-methylbenzoyl)amino]carbamothioyl]-2-hexoxybenzamide Traditional Name: 5-bromo-N-[[(3-bromo-4-methyl-benzoyl)amino]thiocarbamoyl]-2-hexoxy-benzamide Formula: C22H25Br2N3O3S MolecularWeight: 571.3252

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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)C)Br

Isomeric SMILES

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

InChI

InChI=1S/C22H25Br2N3O3S/c1-3-4-5-6-11-30-19-10-9-16(23)13-17(19)21(29)25-22(31)27-26-20(28)15-8-7-14(2)18(24)12-15/h7-10,12-13H,3-6,11H2,1-2H3,(H,26,28)(H2,25,27,29,31)