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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=C(C=C1)C(=O)NC(=S)NNC(=O)C2=CC=C(C=C2)NC(=O)CC)Br

Isomeric SMILES

CCCCOC1=C(C=C(C=C1)C(=O)NC(=S)NNC(=O)C2=CC=C(C=C2)NC(=O)CC)Br

InChI

InChI=1S/C22H25BrN4O4S/c1-3-5-12-31-18-11-8-15(13-17(18)23)20(29)25-22(32)27-26-21(30)14-6-9-16(10-7-14)24-19(28)4-2/h6-11,13H,3-5,12H2,1-2H3,(H,24,28)(H,26,30)(H2,25,27,29,32)