5-bromanyl-N-[[[4-(3-methylbutanoylamino)phenyl]carbonylamino]carbamothioyl]-2-phenethyloxy-benzamide

Systemtic Name: 5-bromanyl-N-[[[4-(3-methylbutanoylamino)phenyl]carbonylamino]carbamothioyl]-2-phenethyloxy-benzamide Openeye Name: 5-bromo-N-[[[4-(3-methylbutanoylamino)benzoyl]amino]carbamothioyl]-2-phenethyloxy-benzamide CAS Name: 5-bromo-N-[[[[4-[(3-methyl-1-oxobutyl)amino]phenyl]-oxomethyl]hydrazo]-sulfanylidenemethyl]-2-phenethyloxybenzamide IUPAC Name: 5-bromo-N-[[[4-(3-methylbutanoylamino)benzoyl]amino]carbamothioyl]-2-phenethyloxybenzamide Traditional Name: 5-bromo-N-[[[4-(isovalerylamino)benzoyl]amino]thiocarbamoyl]-2-phenethyloxy-benzamide Formula: C28H29BrN4O4S MolecularWeight: 597.52326

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)NC1=CC=C(C=C1)C(=O)NNC(=S)NC(=O)C2=C(C=CC(=C2)Br)OCCC3=CC=CC=C3

Isomeric SMILES

CC(C)CC(=O)NC1=CC=C(C=C1)C(=O)NNC(=S)NC(=O)C2=C(C=CC(=C2)Br)OCCC3=CC=CC=C3

InChI

InChI=1S/C28H29BrN4O4S/c1-18(2)16-25(34)30-22-11-8-20(9-12-22)26(35)32-33-28(38)31-27(36)23-17-21(29)10-13-24(23)37-15-14-19-6-4-3-5-7-19/h3-13,17-18H,14-16H2,1-2H3,(H,30,34)(H,32,35)(H2,31,33,36,38)