2-pentoxy-N-[[[4-(propanoylamino)phenyl]carbonylamino]carbamothioyl]benzamide

Systemtic Name: 2-pentoxy-N-[[[4-(propanoylamino)phenyl]carbonylamino]carbamothioyl]benzamide Openeye Name: 2-pentoxy-N-[[[4-(propanoylamino)benzoyl]amino]carbamothioyl]benzamide CAS Name: N-[[[oxo-[4-(1-oxopropylamino)phenyl]methyl]hydrazo]-sulfanylidenemethyl]-2-pentoxybenzamide IUPAC Name: 2-pentoxy-N-[[[4-(propanoylamino)benzoyl]amino]carbamothioyl]benzamide Traditional Name: 2-amoxy-N-[[(4-propionamidobenzoyl)amino]thiocarbamoyl]benzamide Formula: C23H28N4O4S MolecularWeight: 456.55782

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=CC=CC=C1C(=O)NC(=S)NNC(=O)C2=CC=C(C=C2)NC(=O)CC

Isomeric SMILES

CCCCCOC1=CC=CC=C1C(=O)NC(=S)NNC(=O)C2=CC=C(C=C2)NC(=O)CC

InChI

InChI=1S/C23H28N4O4S/c1-3-5-8-15-31-19-10-7-6-9-18(19)22(30)25-23(32)27-26-21(29)16-11-13-17(14-12-16)24-20(28)4-2/h6-7,9-14H,3-5,8,15H2,1-2H3,(H,24,28)(H,26,29)(H2,25,27,30,32)