5-bromanyl-N-[[2-(2,6-dimethylphenoxy)ethanoylamino]carbamothioyl]-2-propan-2-yloxy-benzamide

Systemtic Name: 5-bromanyl-N-[[2-(2,6-dimethylphenoxy)ethanoylamino]carbamothioyl]-2-propan-2-yloxy-benzamide Openeye Name: 5-bromo-N-[[[2-(2,6-dimethylphenoxy)acetyl]amino]carbamothioyl]-2-isopropoxy-benzamide CAS Name: 5-bromo-N-[[[2-(2,6-dimethylphenoxy)-1-oxoethyl]hydrazo]-sulfanylidenemethyl]-2-propan-2-yloxybenzamide IUPAC Name: 5-bromo-N-[[[2-(2,6-dimethylphenoxy)acetyl]amino]carbamothioyl]-2-propan-2-yloxybenzamide Traditional Name: 5-bromo-N-[[[2-(2,6-dimethylphenoxy)acetyl]amino]thiocarbamoyl]-2-isopropoxy-benzamide Formula: C21H24BrN3O4S MolecularWeight: 494.40196

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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