3,5-dinitro-N-[4-(propanoylcarbamothioylamino)phenyl]benzamide

Systemtic Name: 3,5-dinitro-N-[4-(propanoylcarbamothioylamino)phenyl]benzamide Openeye Name: 3,5-dinitro-N-[4-(propanoylcarbamothioylamino)phenyl]benzamide CAS Name: 3,5-dinitro-N-[4-[[(1-oxopropylamino)-sulfanylidenemethyl]amino]phenyl]benzamide IUPAC Name: 3,5-dinitro-N-[4-(propanoylcarbamothioylamino)phenyl]benzamide Traditional Name: 3,5-dinitro-N-[4-(propionylthiocarbamoylamino)phenyl]benzamide Formula: C17H15N5O6S MolecularWeight: 417.3959

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H15N5O6S/c1-2-15(23)20-17(29)19-12-5-3-11(4-6-12)18-16(24)10-7-13(21(25)26)9-14(8-10)22(27)28/h3-9H,2H2,1H3,(H,18,24)(H2,19,20,23,29)