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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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