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

Systemtic Name: 5-bromanyl-N-[[2-(3,4-dimethylphenoxy)propanoylamino]carbamothioyl]-2-ethoxy-benzamide Openeye Name: 5-bromo-N-[[2-(3,4-dimethylphenoxy)propanoylamino]carbamothioyl]-2-ethoxy-benzamide CAS Name: 5-bromo-N-[[[2-(3,4-dimethylphenoxy)-1-oxopropyl]hydrazo]-sulfanylidenemethyl]-2-ethoxybenzamide IUPAC Name: 5-bromo-N-[[2-(3,4-dimethylphenoxy)propanoylamino]carbamothioyl]-2-ethoxybenzamide Traditional Name: 5-bromo-N-[[2-(3,4-dimethylphenoxy)propanoylamino]thiocarbamoyl]-2-ethoxy-benzamide Formula: C21H24BrN3O4S MolecularWeight: 494.40196

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)Br)C(=O)NC(=S)NNC(=O)C(C)OC2=CC(=C(C=C2)C)C

Isomeric SMILES

CCOC1=C(C=C(C=C1)Br)C(=O)NC(=S)NNC(=O)C(C)OC2=CC(=C(C=C2)C)C

InChI

InChI=1S/C21H24BrN3O4S/c1-5-28-18-9-7-15(22)11-17(18)20(27)23-21(30)25-24-19(26)14(4)29-16-8-6-12(2)13(3)10-16/h6-11,14H,5H2,1-4H3,(H,24,26)(H2,23,25,27,30)