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

Systemtic Name: 5-bromanyl-2-hexoxy-N-[(3-phenylpropanoylamino)carbamothioyl]benzamide Openeye Name: 5-bromo-2-hexoxy-N-[(3-phenylpropanoylamino)carbamothioyl]benzamide CAS Name: 5-bromo-2-hexoxy-N-[[(1-oxo-3-phenylpropyl)hydrazo]-sulfanylidenemethyl]benzamide IUPAC Name: 5-bromo-2-hexoxy-N-[(3-phenylpropanoylamino)carbamothioyl]benzamide Traditional Name: 5-bromo-2-hexoxy-N-[(hydrocinnamoylamino)thiocarbamoyl]benzamide Formula: C23H28BrN3O3S MolecularWeight: 506.45572

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=C(C=C(C=C1)Br)C(=O)NC(=S)NNC(=O)CCC2=CC=CC=C2

Isomeric SMILES

CCCCCCOC1=C(C=C(C=C1)Br)C(=O)NC(=S)NNC(=O)CCC2=CC=CC=C2

InChI

InChI=1S/C23H28BrN3O3S/c1-2-3-4-8-15-30-20-13-12-18(24)16-19(20)22(29)25-23(31)27-26-21(28)14-11-17-9-6-5-7-10-17/h5-7,9-10,12-13,16H,2-4,8,11,14-15H2,1H3,(H,26,28)(H2,25,27,29,31)