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

Systemtic Name: 5-bromanyl-N-[[2-(2-phenoxyethoxy)phenyl]carbamothioyl]-2-propoxy-benzamide Openeye Name: 5-bromo-N-[[2-(2-phenoxyethoxy)phenyl]carbamothioyl]-2-propoxy-benzamide CAS Name: 5-bromo-N-[[2-(2-phenoxyethoxy)anilino]-sulfanylidenemethyl]-2-propoxybenzamide IUPAC Name: 5-bromo-N-[[2-(2-phenoxyethoxy)phenyl]carbamothioyl]-2-propoxybenzamide Traditional Name: 5-bromo-N-[[2-(2-phenoxyethoxy)phenyl]thiocarbamoyl]-2-propoxy-benzamide Formula: C25H25BrN2O4S MolecularWeight: 529.446

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1)Br)C(=O)NC(=S)NC2=CC=CC=C2OCCOC3=CC=CC=C3

Isomeric SMILES

CCCOC1=C(C=C(C=C1)Br)C(=O)NC(=S)NC2=CC=CC=C2OCCOC3=CC=CC=C3

InChI

InChI=1S/C25H25BrN2O4S/c1-2-14-31-22-13-12-18(26)17-20(22)24(29)28-25(33)27-21-10-6-7-11-23(21)32-16-15-30-19-8-4-3-5-9-19/h3-13,17H,2,14-16H2,1H3,(H2,27,28,29,33)