5-bromanyl-N-[[3-(2-phenoxyethanoylamino)phenyl]carbamothioyl]-2-propoxy-benzamide

Systemtic Name: 5-bromanyl-N-[[3-(2-phenoxyethanoylamino)phenyl]carbamothioyl]-2-propoxy-benzamide Openeye Name: 5-bromo-N-[[3-[(2-phenoxyacetyl)amino]phenyl]carbamothioyl]-2-propoxy-benzamide CAS Name: 5-bromo-N-[[3-[(1-oxo-2-phenoxyethyl)amino]anilino]-sulfanylidenemethyl]-2-propoxybenzamide IUPAC Name: 5-bromo-N-[[3-[(2-phenoxyacetyl)amino]phenyl]carbamothioyl]-2-propoxybenzamide Traditional Name: 5-bromo-N-[[3-[(2-phenoxyacetyl)amino]phenyl]thiocarbamoyl]-2-propoxy-benzamide Formula: C25H24BrN3O4S MolecularWeight: 542.44476

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1)Br)C(=O)NC(=S)NC2=CC=CC(=C2)NC(=O)COC3=CC=CC=C3

Isomeric SMILES

CCCOC1=C(C=C(C=C1)Br)C(=O)NC(=S)NC2=CC=CC(=C2)NC(=O)COC3=CC=CC=C3

InChI

InChI=1S/C25H24BrN3O4S/c1-2-13-32-22-12-11-17(26)14-21(22)24(31)29-25(34)28-19-8-6-7-18(15-19)27-23(30)16-33-20-9-4-3-5-10-20/h3-12,14-15H,2,13,16H2,1H3,(H,27,30)(H2,28,29,31,34)