3,5-dinitro-N-[[3-(propylcarbamoyl)phenyl]carbamothioyl]benzamide

Systemtic Name: 3,5-dinitro-N-[[3-(propylcarbamoyl)phenyl]carbamothioyl]benzamide Openeye Name: 3,5-dinitro-N-[[3-(propylcarbamoyl)phenyl]carbamothioyl]benzamide CAS Name: 3,5-dinitro-N-[[3-[oxo(propylamino)methyl]anilino]-sulfanylidenemethyl]benzamide IUPAC Name: 3,5-dinitro-N-[[3-(propylcarbamoyl)phenyl]carbamothioyl]benzamide Traditional Name: 3,5-dinitro-N-[[3-(propylcarbamoyl)phenyl]thiocarbamoyl]benzamide Formula: C18H17N5O6S MolecularWeight: 431.42248

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)C1=CC(=CC=C1)NC(=S)NC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CCCNC(=O)C1=CC(=CC=C1)NC(=S)NC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C18H17N5O6S/c1-2-6-19-16(24)11-4-3-5-13(7-11)20-18(30)21-17(25)12-8-14(22(26)27)10-15(9-12)23(28)29/h3-5,7-10H,2,6H2,1H3,(H,19,24)(H2,20,21,25,30)