5-bromanyl-2-(2-methoxyethoxy)-N-[[[4-(2-methylpropanoylamino)phenyl]carbonylamino]carbamothioyl]benzamide

Systemtic Name: 5-bromanyl-2-(2-methoxyethoxy)-N-[[[4-(2-methylpropanoylamino)phenyl]carbonylamino]carbamothioyl]benzamide Openeye Name: 5-bromo-2-(2-methoxyethoxy)-N-[[[4-(2-methylpropanoylamino)benzoyl]amino]carbamothioyl]benzamide CAS Name: 5-bromo-2-(2-methoxyethoxy)-N-[[[[4-[(2-methyl-1-oxopropyl)amino]phenyl]-oxomethyl]hydrazo]-sulfanylidenemethyl]benzamide IUPAC Name: 5-bromo-2-(2-methoxyethoxy)-N-[[[4-(2-methylpropanoylamino)benzoyl]amino]carbamothioyl]benzamide Traditional Name: 5-bromo-N-[[[4-(isobutyrylamino)benzoyl]amino]thiocarbamoyl]-2-(2-methoxyethoxy)benzamide Formula: C22H25BrN4O5S MolecularWeight: 537.4267

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H25BrN4O5S/c1-13(2)19(28)24-16-7-4-14(5-8-16)20(29)26-27-22(33)25-21(30)17-12-15(23)6-9-18(17)32-11-10-31-3/h4-9,12-13H,10-11H2,1-3H3,(H,24,28)(H,26,29)(H2,25,27,30,33)