3-bromanyl-N-[[2-(4-butan-2-ylphenoxy)ethanoylamino]carbamothioyl]-4-methyl-benzamide

Systemtic Name: 3-bromanyl-N-[[2-(4-butan-2-ylphenoxy)ethanoylamino]carbamothioyl]-4-methyl-benzamide Openeye Name: 3-bromo-4-methyl-N-[[[2-(4-sec-butylphenoxy)acetyl]amino]carbamothioyl]benzamide CAS Name: 3-bromo-N-[[[2-(4-butan-2-ylphenoxy)-1-oxoethyl]hydrazo]-sulfanylidenemethyl]-4-methylbenzamide IUPAC Name: 3-bromo-N-[[[2-(4-butan-2-ylphenoxy)acetyl]amino]carbamothioyl]-4-methylbenzamide Traditional Name: 3-bromo-4-methyl-N-[[[2-(4-sec-butylphenoxy)acetyl]amino]thiocarbamoyl]benzamide Formula: C21H24BrN3O3S MolecularWeight: 478.40256

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24BrN3O3S/c1-4-13(2)15-7-9-17(10-8-15)28-12-19(26)24-25-21(29)23-20(27)16-6-5-14(3)18(22)11-16/h5-11,13H,4,12H2,1-3H3,(H,24,26)(H2,23,25,27,29)