3-bromanyl-4-(2-methylpropoxy)-N-[[[4-(propanoylamino)phenyl]carbonylamino]carbamothioyl]benzamide

Systemtic Name: 3-bromanyl-4-(2-methylpropoxy)-N-[[[4-(propanoylamino)phenyl]carbonylamino]carbamothioyl]benzamide Openeye Name: 3-bromo-4-isobutoxy-N-[[[4-(propanoylamino)benzoyl]amino]carbamothioyl]benzamide CAS Name: 3-bromo-4-(2-methylpropoxy)-N-[[[oxo-[4-(1-oxopropylamino)phenyl]methyl]hydrazo]-sulfanylidenemethyl]benzamide IUPAC Name: 3-bromo-4-(2-methylpropoxy)-N-[[[4-(propanoylamino)benzoyl]amino]carbamothioyl]benzamide Traditional Name: 3-bromo-4-isobutoxy-N-[[(4-propionamidobenzoyl)amino]thiocarbamoyl]benzamide Formula: C22H25BrN4O4S MolecularWeight: 521.4273

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H25BrN4O4S/c1-4-19(28)24-16-8-5-14(6-9-16)21(30)26-27-22(32)25-20(29)15-7-10-18(17(23)11-15)31-12-13(2)3/h5-11,13H,4,12H2,1-3H3,(H,24,28)(H,26,30)(H2,25,27,29,32)