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

Systemtic Name: 5-bromanyl-2-hexoxy-N-[[3-(propanoylamino)phenyl]carbamothioyl]benzamide Openeye Name: 5-bromo-2-hexoxy-N-[[3-(propanoylamino)phenyl]carbamothioyl]benzamide CAS Name: 5-bromo-2-hexoxy-N-[[3-(1-oxopropylamino)anilino]-sulfanylidenemethyl]benzamide IUPAC Name: 5-bromo-2-hexoxy-N-[[3-(propanoylamino)phenyl]carbamothioyl]benzamide Traditional Name: 5-bromo-2-hexoxy-N-[(3-propionamidophenyl)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)NC2=CC=CC(=C2)NC(=O)CC

Isomeric SMILES

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

InChI

InChI=1S/C23H28BrN3O3S/c1-3-5-6-7-13-30-20-12-11-16(24)14-19(20)22(29)27-23(31)26-18-10-8-9-17(15-18)25-21(28)4-2/h8-12,14-15H,3-7,13H2,1-2H3,(H,25,28)(H2,26,27,29,31)