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

Systemtic Name: 5-bromanyl-N-[[4-(2-methoxyethoxy)phenyl]carbamothioyl]-2-phenethyloxy-benzamide Openeye Name: 5-bromo-N-[[4-(2-methoxyethoxy)phenyl]carbamothioyl]-2-phenethyloxy-benzamide CAS Name: 5-bromo-N-[[4-(2-methoxyethoxy)anilino]-sulfanylidenemethyl]-2-phenethyloxybenzamide IUPAC Name: 5-bromo-N-[[4-(2-methoxyethoxy)phenyl]carbamothioyl]-2-phenethyloxybenzamide Traditional Name: 5-bromo-N-[[4-(2-methoxyethoxy)phenyl]thiocarbamoyl]-2-phenethyloxy-benzamide Formula: C25H25BrN2O4S MolecularWeight: 529.446

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Descriptors Computed from Structure

Canonical SMILES:

COCCOC1=CC=C(C=C1)NC(=S)NC(=O)C2=C(C=CC(=C2)Br)OCCC3=CC=CC=C3

Isomeric SMILES

COCCOC1=CC=C(C=C1)NC(=S)NC(=O)C2=C(C=CC(=C2)Br)OCCC3=CC=CC=C3

InChI

InChI=1S/C25H25BrN2O4S/c1-30-15-16-31-21-10-8-20(9-11-21)27-25(33)28-24(29)22-17-19(26)7-12-23(22)32-14-13-18-5-3-2-4-6-18/h2-12,17H,13-16H2,1H3,(H2,27,28,29,33)