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

Systemtic Name: 5-bromanyl-2-(2-methoxyethoxy)-N-[[3-(3-phenylpropanoylamino)phenyl]carbamothioyl]benzamide Openeye Name: 5-bromo-2-(2-methoxyethoxy)-N-[[3-(3-phenylpropanoylamino)phenyl]carbamothioyl]benzamide CAS Name: 5-bromo-2-(2-methoxyethoxy)-N-[[3-[(1-oxo-3-phenylpropyl)amino]anilino]-sulfanylidenemethyl]benzamide IUPAC Name: 5-bromo-2-(2-methoxyethoxy)-N-[[3-(3-phenylpropanoylamino)phenyl]carbamothioyl]benzamide Traditional Name: 5-bromo-N-[[3-(hydrocinnamoylamino)phenyl]thiocarbamoyl]-2-(2-methoxyethoxy)benzamide Formula: C26H26BrN3O4S MolecularWeight: 556.47134

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Descriptors Computed from Structure

Canonical SMILES:

COCCOC1=C(C=C(C=C1)Br)C(=O)NC(=S)NC2=CC=CC(=C2)NC(=O)CCC3=CC=CC=C3

Isomeric SMILES

COCCOC1=C(C=C(C=C1)Br)C(=O)NC(=S)NC2=CC=CC(=C2)NC(=O)CCC3=CC=CC=C3

InChI

InChI=1S/C26H26BrN3O4S/c1-33-14-15-34-23-12-11-19(27)16-22(23)25(32)30-26(35)29-21-9-5-8-20(17-21)28-24(31)13-10-18-6-3-2-4-7-18/h2-9,11-12,16-17H,10,13-15H2,1H3,(H,28,31)(H2,29,30,32,35)