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

Systemtic Name: 5-bromanyl-N-[[3-(3-phenylpropanoylamino)phenyl]carbamothioyl]-2-propoxy-benzamide Openeye Name: 5-bromo-N-[[3-(3-phenylpropanoylamino)phenyl]carbamothioyl]-2-propoxy-benzamide CAS Name: 5-bromo-N-[[3-[(1-oxo-3-phenylpropyl)amino]anilino]-sulfanylidenemethyl]-2-propoxybenzamide IUPAC Name: 5-bromo-N-[[3-(3-phenylpropanoylamino)phenyl]carbamothioyl]-2-propoxybenzamide Traditional Name: 5-bromo-N-[[3-(hydrocinnamoylamino)phenyl]thiocarbamoyl]-2-propoxy-benzamide Formula: C26H26BrN3O3S MolecularWeight: 540.47194

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1)Br)C(=O)NC(=S)NC2=CC=CC(=C2)NC(=O)CCC3=CC=CC=C3

Isomeric SMILES

CCCOC1=C(C=C(C=C1)Br)C(=O)NC(=S)NC2=CC=CC(=C2)NC(=O)CCC3=CC=CC=C3

InChI

InChI=1S/C26H26BrN3O3S/c1-2-15-33-23-13-12-19(27)16-22(23)25(32)30-26(34)29-21-10-6-9-20(17-21)28-24(31)14-11-18-7-4-3-5-8-18/h3-10,12-13,16-17H,2,11,14-15H2,1H3,(H,28,31)(H2,29,30,32,34)