5-bromanyl-N-[[3-(2,2-dimethylpropanoylamino)phenyl]carbamothioyl]-2-ethoxy-benzamide

Systemtic Name: 5-bromanyl-N-[[3-(2,2-dimethylpropanoylamino)phenyl]carbamothioyl]-2-ethoxy-benzamide Openeye Name: 5-bromo-N-[[3-(2,2-dimethylpropanoylamino)phenyl]carbamothioyl]-2-ethoxy-benzamide CAS Name: 5-bromo-N-[[3-[(2,2-dimethyl-1-oxopropyl)amino]anilino]-sulfanylidenemethyl]-2-ethoxybenzamide IUPAC Name: 5-bromo-N-[[3-(2,2-dimethylpropanoylamino)phenyl]carbamothioyl]-2-ethoxybenzamide Traditional Name: 5-bromo-2-ethoxy-N-[[3-(pivaloylamino)phenyl]thiocarbamoyl]benzamide Formula: C21H24BrN3O3S MolecularWeight: 478.40256

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)Br)C(=O)NC(=S)NC2=CC=CC(=C2)NC(=O)C(C)(C)C

Isomeric SMILES

CCOC1=C(C=C(C=C1)Br)C(=O)NC(=S)NC2=CC=CC(=C2)NC(=O)C(C)(C)C

InChI

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