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

Systemtic Name: 5-bromanyl-2-(2-methoxyethoxy)-N-[[2-(2-methylpropoxy)phenyl]carbamothioyl]benzamide Openeye Name: 5-bromo-N-[(2-isobutoxyphenyl)carbamothioyl]-2-(2-methoxyethoxy)benzamide CAS Name: 5-bromo-2-(2-methoxyethoxy)-N-[[2-(2-methylpropoxy)anilino]-sulfanylidenemethyl]benzamide IUPAC Name: 5-bromo-2-(2-methoxyethoxy)-N-[[2-(2-methylpropoxy)phenyl]carbamothioyl]benzamide Traditional Name: 5-bromo-N-[(2-isobutoxyphenyl)thiocarbamoyl]-2-(2-methoxyethoxy)benzamide Formula: C21H25BrN2O4S MolecularWeight: 481.4032

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC1=CC=CC=C1NC(=S)NC(=O)C2=C(C=CC(=C2)Br)OCCOC

Isomeric SMILES

CC(C)COC1=CC=CC=C1NC(=S)NC(=O)C2=C(C=CC(=C2)Br)OCCOC

InChI

InChI=1S/C21H25BrN2O4S/c1-14(2)13-28-19-7-5-4-6-17(19)23-21(29)24-20(25)16-12-15(22)8-9-18(16)27-11-10-26-3/h4-9,12,14H,10-11,13H2,1-3H3,(H2,23,24,25,29)