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

Systemtic Name: 5-bromanyl-N-[[2-(3,5-dimethylphenoxy)ethanoylamino]carbamothioyl]-2-(2-methylpropoxy)benzamide Openeye Name: 5-bromo-N-[[[2-(3,5-dimethylphenoxy)acetyl]amino]carbamothioyl]-2-isobutoxy-benzamide CAS Name: 5-bromo-N-[[[2-(3,5-dimethylphenoxy)-1-oxoethyl]hydrazo]-sulfanylidenemethyl]-2-(2-methylpropoxy)benzamide IUPAC Name: 5-bromo-N-[[[2-(3,5-dimethylphenoxy)acetyl]amino]carbamothioyl]-2-(2-methylpropoxy)benzamide Traditional Name: 5-bromo-N-[[[2-(3,5-dimethylphenoxy)acetyl]amino]thiocarbamoyl]-2-isobutoxy-benzamide Formula: C22H26BrN3O4S MolecularWeight: 508.42854

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H26BrN3O4S/c1-13(2)11-30-19-6-5-16(23)10-18(19)21(28)24-22(31)26-25-20(27)12-29-17-8-14(3)7-15(4)9-17/h5-10,13H,11-12H2,1-4H3,(H,25,27)(H2,24,26,28,31)