5-bromanyl-2-(2-methylpropoxy)-N-[(3-phenylpropanoylamino)carbamothioyl]benzamide

Systemtic Name: 5-bromanyl-2-(2-methylpropoxy)-N-[(3-phenylpropanoylamino)carbamothioyl]benzamide Openeye Name: 5-bromo-2-isobutoxy-N-[(3-phenylpropanoylamino)carbamothioyl]benzamide CAS Name: 5-bromo-2-(2-methylpropoxy)-N-[[(1-oxo-3-phenylpropyl)hydrazo]-sulfanylidenemethyl]benzamide IUPAC Name: 5-bromo-2-(2-methylpropoxy)-N-[(3-phenylpropanoylamino)carbamothioyl]benzamide Traditional Name: 5-bromo-N-[(hydrocinnamoylamino)thiocarbamoyl]-2-isobutoxy-benzamide Formula: C21H24BrN3O3S MolecularWeight: 478.40256

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC1=C(C=C(C=C1)Br)C(=O)NC(=S)NNC(=O)CCC2=CC=CC=C2

Isomeric SMILES

CC(C)COC1=C(C=C(C=C1)Br)C(=O)NC(=S)NNC(=O)CCC2=CC=CC=C2

InChI

InChI=1S/C21H24BrN3O3S/c1-14(2)13-28-18-10-9-16(22)12-17(18)20(27)23-21(29)25-24-19(26)11-8-15-6-4-3-5-7-15/h3-7,9-10,12,14H,8,11,13H2,1-2H3,(H,24,26)(H2,23,25,27,29)