5-bromanyl-N-[[2-(butan-2-ylcarbamoyl)phenyl]carbamothioyl]-2-ethoxy-benzamide

Systemtic Name: 5-bromanyl-N-[[2-(butan-2-ylcarbamoyl)phenyl]carbamothioyl]-2-ethoxy-benzamide Openeye Name: 5-bromo-2-ethoxy-N-[[2-(sec-butylcarbamoyl)phenyl]carbamothioyl]benzamide CAS Name: 5-bromo-N-[[2-[(butan-2-ylamino)-oxomethyl]anilino]-sulfanylidenemethyl]-2-ethoxybenzamide IUPAC Name: 5-bromo-N-[[2-(butan-2-ylcarbamoyl)phenyl]carbamothioyl]-2-ethoxybenzamide Traditional Name: 5-bromo-2-ethoxy-N-[[2-(sec-butylcarbamoyl)phenyl]thiocarbamoyl]benzamide Formula: C21H24BrN3O3S MolecularWeight: 478.40256

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NC(=O)C1=CC=CC=C1NC(=S)NC(=O)C2=C(C=CC(=C2)Br)OCC

Isomeric SMILES

CCC(C)NC(=O)C1=CC=CC=C1NC(=S)NC(=O)C2=C(C=CC(=C2)Br)OCC

InChI

InChI=1S/C21H24BrN3O3S/c1-4-13(3)23-19(26)15-8-6-7-9-17(15)24-21(29)25-20(27)16-12-14(22)10-11-18(16)28-5-2/h6-13H,4-5H2,1-3H3,(H,23,26)(H2,24,25,27,29)