3-bromanyl-4-hexoxy-N-[[3-(3-phenylpropanoylamino)phenyl]carbamothioyl]benzamide

Systemtic Name: 3-bromanyl-4-hexoxy-N-[[3-(3-phenylpropanoylamino)phenyl]carbamothioyl]benzamide Openeye Name: 3-bromo-4-hexoxy-N-[[3-(3-phenylpropanoylamino)phenyl]carbamothioyl]benzamide CAS Name: 3-bromo-4-hexoxy-N-[[3-[(1-oxo-3-phenylpropyl)amino]anilino]-sulfanylidenemethyl]benzamide IUPAC Name: 3-bromo-4-hexoxy-N-[[3-(3-phenylpropanoylamino)phenyl]carbamothioyl]benzamide Traditional Name: 3-bromo-4-hexoxy-N-[[3-(hydrocinnamoylamino)phenyl]thiocarbamoyl]benzamide Formula: C29H32BrN3O3S MolecularWeight: 582.55168

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC=CC(=C2)NC(=O)CCC3=CC=CC=C3)Br

Isomeric SMILES

CCCCCCOC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC=CC(=C2)NC(=O)CCC3=CC=CC=C3)Br

InChI

InChI=1S/C29H32BrN3O3S/c1-2-3-4-8-18-36-26-16-15-22(19-25(26)30)28(35)33-29(37)32-24-13-9-12-23(20-24)31-27(34)17-14-21-10-6-5-7-11-21/h5-7,9-13,15-16,19-20H,2-4,8,14,17-18H2,1H3,(H,31,34)(H2,32,33,35,37)