3-bromanyl-N-[[2-(2,6-dimethylphenoxy)ethanoylamino]carbamothioyl]-4-ethoxy-benzamide

Systemtic Name: 3-bromanyl-N-[[2-(2,6-dimethylphenoxy)ethanoylamino]carbamothioyl]-4-ethoxy-benzamide Openeye Name: 3-bromo-N-[[[2-(2,6-dimethylphenoxy)acetyl]amino]carbamothioyl]-4-ethoxy-benzamide CAS Name: 3-bromo-N-[[[2-(2,6-dimethylphenoxy)-1-oxoethyl]hydrazo]-sulfanylidenemethyl]-4-ethoxybenzamide IUPAC Name: 3-bromo-N-[[[2-(2,6-dimethylphenoxy)acetyl]amino]carbamothioyl]-4-ethoxybenzamide Traditional Name: 3-bromo-N-[[[2-(2,6-dimethylphenoxy)acetyl]amino]thiocarbamoyl]-4-ethoxy-benzamide Formula: C20H22BrN3O4S MolecularWeight: 480.37538

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(=O)NC(=S)NNC(=O)COC2=C(C=CC=C2C)C)Br

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(=O)NC(=S)NNC(=O)COC2=C(C=CC=C2C)C)Br

InChI

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