3-bromanyl-4-ethoxy-N-[[3-(2-phenylethanoylamino)phenyl]carbamothioyl]benzamide

Systemtic Name: 3-bromanyl-4-ethoxy-N-[[3-(2-phenylethanoylamino)phenyl]carbamothioyl]benzamide Openeye Name: 3-bromo-4-ethoxy-N-[[3-[(2-phenylacetyl)amino]phenyl]carbamothioyl]benzamide CAS Name: 3-bromo-4-ethoxy-N-[[3-[(1-oxo-2-phenylethyl)amino]anilino]-sulfanylidenemethyl]benzamide IUPAC Name: 3-bromo-4-ethoxy-N-[[3-[(2-phenylacetyl)amino]phenyl]carbamothioyl]benzamide Traditional Name: 3-bromo-4-ethoxy-N-[[3-[(2-phenylacetyl)amino]phenyl]thiocarbamoyl]benzamide Formula: C24H22BrN3O3S MolecularWeight: 512.41878

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC=CC(=C2)NC(=O)CC3=CC=CC=C3)Br

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC=CC(=C2)NC(=O)CC3=CC=CC=C3)Br

InChI

InChI=1S/C24H22BrN3O3S/c1-2-31-21-12-11-17(14-20(21)25)23(30)28-24(32)27-19-10-6-9-18(15-19)26-22(29)13-16-7-4-3-5-8-16/h3-12,14-15H,2,13H2,1H3,(H,26,29)(H2,27,28,30,32)