5-bromanyl-N-[[4-(butylcarbamoyl)phenyl]carbamothioyl]-2-ethoxy-benzamide

Systemtic Name: 5-bromanyl-N-[[4-(butylcarbamoyl)phenyl]carbamothioyl]-2-ethoxy-benzamide Openeye Name: 5-bromo-N-[[4-(butylcarbamoyl)phenyl]carbamothioyl]-2-ethoxy-benzamide CAS Name: 5-bromo-N-[[4-[butylamino(oxo)methyl]anilino]-sulfanylidenemethyl]-2-ethoxybenzamide IUPAC Name: 5-bromo-N-[[4-(butylcarbamoyl)phenyl]carbamothioyl]-2-ethoxybenzamide Traditional Name: 5-bromo-N-[[4-(butylcarbamoyl)phenyl]thiocarbamoyl]-2-ethoxy-benzamide Formula: C21H24BrN3O3S MolecularWeight: 478.40256

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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