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

Systemtic Name: 5-bromanyl-N-[[3-(2-ethoxyethoxy)phenyl]carbamothioyl]-2-(2-methoxyethoxy)benzamide Openeye Name: 5-bromo-N-[[3-(2-ethoxyethoxy)phenyl]carbamothioyl]-2-(2-methoxyethoxy)benzamide CAS Name: 5-bromo-N-[[3-(2-ethoxyethoxy)anilino]-sulfanylidenemethyl]-2-(2-methoxyethoxy)benzamide IUPAC Name: 5-bromo-N-[[3-(2-ethoxyethoxy)phenyl]carbamothioyl]-2-(2-methoxyethoxy)benzamide Traditional Name: 5-bromo-N-[[3-(2-ethoxyethoxy)phenyl]thiocarbamoyl]-2-(2-methoxyethoxy)benzamide Formula: C21H25BrN2O5S MolecularWeight: 497.4026

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25BrN2O5S/c1-3-27-10-12-28-17-6-4-5-16(14-17)23-21(30)24-20(25)18-13-15(22)7-8-19(18)29-11-9-26-2/h4-8,13-14H,3,9-12H2,1-2H3,(H2,23,24,25,30)