5-bromanyl-N-[[2-(3,5-dimethylphenoxy)ethanoylamino]carbamothioyl]-2-propoxy-benzamide

Systemtic Name: 5-bromanyl-N-[[2-(3,5-dimethylphenoxy)ethanoylamino]carbamothioyl]-2-propoxy-benzamide Openeye Name: 5-bromo-N-[[[2-(3,5-dimethylphenoxy)acetyl]amino]carbamothioyl]-2-propoxy-benzamide CAS Name: 5-bromo-N-[[[2-(3,5-dimethylphenoxy)-1-oxoethyl]hydrazo]-sulfanylidenemethyl]-2-propoxybenzamide IUPAC Name: 5-bromo-N-[[[2-(3,5-dimethylphenoxy)acetyl]amino]carbamothioyl]-2-propoxybenzamide Traditional Name: 5-bromo-N-[[[2-(3,5-dimethylphenoxy)acetyl]amino]thiocarbamoyl]-2-propoxy-benzamide Formula: C21H24BrN3O4S MolecularWeight: 494.40196

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1)Br)C(=O)NC(=S)NNC(=O)COC2=CC(=CC(=C2)C)C

Isomeric SMILES

CCCOC1=C(C=C(C=C1)Br)C(=O)NC(=S)NNC(=O)COC2=CC(=CC(=C2)C)C

InChI

InChI=1S/C21H24BrN3O4S/c1-4-7-28-18-6-5-15(22)11-17(18)20(27)23-21(30)25-24-19(26)12-29-16-9-13(2)8-14(3)10-16/h5-6,8-11H,4,7,12H2,1-3H3,(H,24,26)(H2,23,25,27,30)