5-bromanyl-2-methoxy-N-[[[4-(propanoylamino)phenyl]carbonylamino]carbamothioyl]benzamide

Systemtic Name: 5-bromanyl-2-methoxy-N-[[[4-(propanoylamino)phenyl]carbonylamino]carbamothioyl]benzamide Openeye Name: 5-bromo-2-methoxy-N-[[[4-(propanoylamino)benzoyl]amino]carbamothioyl]benzamide CAS Name: 5-bromo-2-methoxy-N-[[[oxo-[4-(1-oxopropylamino)phenyl]methyl]hydrazo]-sulfanylidenemethyl]benzamide IUPAC Name: 5-bromo-2-methoxy-N-[[[4-(propanoylamino)benzoyl]amino]carbamothioyl]benzamide Traditional Name: 5-bromo-2-methoxy-N-[[(4-propionamidobenzoyl)amino]thiocarbamoyl]benzamide Formula: C19H19BrN4O4S MolecularWeight: 479.34756

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H19BrN4O4S/c1-3-16(25)21-13-7-4-11(5-8-13)17(26)23-24-19(29)22-18(27)14-10-12(20)6-9-15(14)28-2/h4-10H,3H2,1-2H3,(H,21,25)(H,23,26)(H2,22,24,27,29)