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

Systemtic Name: 5-bromanyl-N-[[2-(3,4-dimethylphenoxy)propanoylamino]carbamothioyl]-2-methoxy-benzamide Openeye Name: 5-bromo-N-[[2-(3,4-dimethylphenoxy)propanoylamino]carbamothioyl]-2-methoxy-benzamide CAS Name: 5-bromo-N-[[[2-(3,4-dimethylphenoxy)-1-oxopropyl]hydrazo]-sulfanylidenemethyl]-2-methoxybenzamide IUPAC Name: 5-bromo-N-[[2-(3,4-dimethylphenoxy)propanoylamino]carbamothioyl]-2-methoxybenzamide Traditional Name: 5-bromo-N-[[2-(3,4-dimethylphenoxy)propanoylamino]thiocarbamoyl]-2-methoxy-benzamide Formula: C20H22BrN3O4S MolecularWeight: 480.37538

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)OC(C)C(=O)NNC(=S)NC(=O)C2=C(C=CC(=C2)Br)OC)C

Isomeric SMILES

CC1=C(C=C(C=C1)OC(C)C(=O)NNC(=S)NC(=O)C2=C(C=CC(=C2)Br)OC)C

InChI

InChI=1S/C20H22BrN3O4S/c1-11-5-7-15(9-12(11)2)28-13(3)18(25)23-24-20(29)22-19(26)16-10-14(21)6-8-17(16)27-4/h5-10,13H,1-4H3,(H,23,25)(H2,22,24,26,29)