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

Systemtic Name: 2-nitro-N-[[[4-(propanoylamino)phenyl]carbonylamino]carbamothioyl]benzamide Openeye Name: 2-nitro-N-[[[4-(propanoylamino)benzoyl]amino]carbamothioyl]benzamide CAS Name: 2-nitro-N-[[[oxo-[4-(1-oxopropylamino)phenyl]methyl]hydrazo]-sulfanylidenemethyl]benzamide IUPAC Name: 2-nitro-N-[[[4-(propanoylamino)benzoyl]amino]carbamothioyl]benzamide Traditional Name: 2-nitro-N-[[(4-propionamidobenzoyl)amino]thiocarbamoyl]benzamide Formula: C18H17N5O5S MolecularWeight: 415.42308

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)NC1=CC=C(C=C1)C(=O)NNC(=S)NC(=O)C2=CC=CC=C2[N+](=O)[O-]

Isomeric SMILES

CCC(=O)NC1=CC=C(C=C1)C(=O)NNC(=S)NC(=O)C2=CC=CC=C2[N+](=O)[O-]

InChI

InChI=1S/C18H17N5O5S/c1-2-15(24)19-12-9-7-11(8-10-12)16(25)21-22-18(29)20-17(26)13-5-3-4-6-14(13)23(27)28/h3-10H,2H2,1H3,(H,19,24)(H,21,25)(H2,20,22,26,29)