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

Systemtic Name: 5-bromanyl-2-phenethyloxy-N-[(3-phenylpropanoylamino)carbamothioyl]benzamide Openeye Name: 5-bromo-2-phenethyloxy-N-[(3-phenylpropanoylamino)carbamothioyl]benzamide CAS Name: 5-bromo-N-[[(1-oxo-3-phenylpropyl)hydrazo]-sulfanylidenemethyl]-2-phenethyloxybenzamide IUPAC Name: 5-bromo-2-phenethyloxy-N-[(3-phenylpropanoylamino)carbamothioyl]benzamide Traditional Name: 5-bromo-N-[(hydrocinnamoylamino)thiocarbamoyl]-2-phenethyloxy-benzamide Formula: C25H24BrN3O3S MolecularWeight: 526.44536

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCC(=O)NNC(=S)NC(=O)C2=C(C=CC(=C2)Br)OCCC3=CC=CC=C3

Isomeric SMILES

C1=CC=C(C=C1)CCC(=O)NNC(=S)NC(=O)C2=C(C=CC(=C2)Br)OCCC3=CC=CC=C3

InChI

InChI=1S/C25H24BrN3O3S/c26-20-12-13-22(32-16-15-19-9-5-2-6-10-19)21(17-20)24(31)27-25(33)29-28-23(30)14-11-18-7-3-1-4-8-18/h1-10,12-13,17H,11,14-16H2,(H,28,30)(H2,27,29,31,33)