5-bromanyl-N-[[4-(2-ethoxyethoxy)phenyl]carbamothioyl]-2-phenethyloxy-benzamide

Systemtic Name: 5-bromanyl-N-[[4-(2-ethoxyethoxy)phenyl]carbamothioyl]-2-phenethyloxy-benzamide Openeye Name: 5-bromo-N-[[4-(2-ethoxyethoxy)phenyl]carbamothioyl]-2-phenethyloxy-benzamide CAS Name: 5-bromo-N-[[4-(2-ethoxyethoxy)anilino]-sulfanylidenemethyl]-2-phenethyloxybenzamide IUPAC Name: 5-bromo-N-[[4-(2-ethoxyethoxy)phenyl]carbamothioyl]-2-phenethyloxybenzamide Traditional Name: 5-bromo-N-[[4-(2-ethoxyethoxy)phenyl]thiocarbamoyl]-2-phenethyloxy-benzamide Formula: C26H27BrN2O4S MolecularWeight: 543.47258

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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