5-bromanyl-N-[[3-(2-ethoxyethoxy)phenyl]carbamothioyl]-2-phenethyloxy-benzamide

Systemtic Name: 5-bromanyl-N-[[3-(2-ethoxyethoxy)phenyl]carbamothioyl]-2-phenethyloxy-benzamide Openeye Name: 5-bromo-N-[[3-(2-ethoxyethoxy)phenyl]carbamothioyl]-2-phenethyloxy-benzamide CAS Name: 5-bromo-N-[[3-(2-ethoxyethoxy)anilino]-sulfanylidenemethyl]-2-phenethyloxybenzamide IUPAC Name: 5-bromo-N-[[3-(2-ethoxyethoxy)phenyl]carbamothioyl]-2-phenethyloxybenzamide Traditional Name: 5-bromo-N-[[3-(2-ethoxyethoxy)phenyl]thiocarbamoyl]-2-phenethyloxy-benzamide Formula: C26H27BrN2O4S MolecularWeight: 543.47258

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Descriptors Computed from Structure

Canonical SMILES:

CCOCCOC1=CC=CC(=C1)NC(=S)NC(=O)C2=C(C=CC(=C2)Br)OCCC3=CC=CC=C3

Isomeric SMILES

CCOCCOC1=CC=CC(=C1)NC(=S)NC(=O)C2=C(C=CC(=C2)Br)OCCC3=CC=CC=C3

InChI

InChI=1S/C26H27BrN2O4S/c1-2-31-15-16-32-22-10-6-9-21(18-22)28-26(34)29-25(30)23-17-20(27)11-12-24(23)33-14-13-19-7-4-3-5-8-19/h3-12,17-18H,2,13-16H2,1H3,(H2,28,29,30,34)