3-bromanyl-N-[[2-(3,4-dimethylphenoxy)propanoylamino]carbamothioyl]-4-hexoxy-benzamide

Systemtic Name: 3-bromanyl-N-[[2-(3,4-dimethylphenoxy)propanoylamino]carbamothioyl]-4-hexoxy-benzamide Openeye Name: 3-bromo-N-[[2-(3,4-dimethylphenoxy)propanoylamino]carbamothioyl]-4-hexoxy-benzamide CAS Name: 3-bromo-N-[[[2-(3,4-dimethylphenoxy)-1-oxopropyl]hydrazo]-sulfanylidenemethyl]-4-hexoxybenzamide IUPAC Name: 3-bromo-N-[[2-(3,4-dimethylphenoxy)propanoylamino]carbamothioyl]-4-hexoxybenzamide Traditional Name: 3-bromo-N-[[2-(3,4-dimethylphenoxy)propanoylamino]thiocarbamoyl]-4-hexoxy-benzamide Formula: C25H32BrN3O4S MolecularWeight: 550.50828

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=C(C=C(C=C1)C(=O)NC(=S)NNC(=O)C(C)OC2=CC(=C(C=C2)C)C)Br

Isomeric SMILES

CCCCCCOC1=C(C=C(C=C1)C(=O)NC(=S)NNC(=O)C(C)OC2=CC(=C(C=C2)C)C)Br

InChI

InChI=1S/C25H32BrN3O4S/c1-5-6-7-8-13-32-22-12-10-19(15-21(22)26)24(31)27-25(34)29-28-23(30)18(4)33-20-11-9-16(2)17(3)14-20/h9-12,14-15,18H,5-8,13H2,1-4H3,(H,28,30)(H2,27,29,31,34)