5-bromanyl-N-[[3-(tert-butylcarbamoyl)phenyl]carbamothioyl]-2-ethoxy-benzamide

Systemtic Name: 5-bromanyl-N-[[3-(tert-butylcarbamoyl)phenyl]carbamothioyl]-2-ethoxy-benzamide Openeye Name: 5-bromo-N-[[3-(tert-butylcarbamoyl)phenyl]carbamothioyl]-2-ethoxy-benzamide CAS Name: 5-bromo-N-[[3-[(tert-butylamino)-oxomethyl]anilino]-sulfanylidenemethyl]-2-ethoxybenzamide IUPAC Name: 5-bromo-N-[[3-(tert-butylcarbamoyl)phenyl]carbamothioyl]-2-ethoxybenzamide Traditional Name: 5-bromo-N-[[3-(tert-butylcarbamoyl)phenyl]thiocarbamoyl]-2-ethoxy-benzamide Formula: C21H24BrN3O3S MolecularWeight: 478.40256

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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