N-[[2-(ethylcarbamoyl)phenyl]carbamothioyl]-3,5-dinitro-benzamide

Systemtic Name: N-[[2-(ethylcarbamoyl)phenyl]carbamothioyl]-3,5-dinitro-benzamide Openeye Name: N-[[2-(ethylcarbamoyl)phenyl]carbamothioyl]-3,5-dinitro-benzamide CAS Name: N-[[2-(ethylcarbamoyl)anilino]-sulfanylidenemethyl]-3,5-dinitrobenzamide IUPAC Name: N-[[2-(ethylcarbamoyl)phenyl]carbamothioyl]-3,5-dinitrobenzamide Traditional Name: N-[[2-(ethylcarbamoyl)phenyl]thiocarbamoyl]-3,5-dinitro-benzamide Formula: C17H15N5O6S MolecularWeight: 417.3959

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)C1=CC=CC=C1NC(=S)NC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CCNC(=O)C1=CC=CC=C1NC(=S)NC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-]

InChI

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