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

Systemtic Name: N-[[3-(hydroxymethyl)phenyl]carbamothioyl]-3,5-dinitro-benzamide Openeye Name: N-[[3-(hydroxymethyl)phenyl]carbamothioyl]-3,5-dinitro-benzamide CAS Name: N-[[3-(hydroxymethyl)anilino]-sulfanylidenemethyl]-3,5-dinitrobenzamide IUPAC Name: N-[[3-(hydroxymethyl)phenyl]carbamothioyl]-3,5-dinitrobenzamide Traditional Name: N-[(3-methylolphenyl)thiocarbamoyl]-3,5-dinitro-benzamide Formula: C15H12N4O6S MolecularWeight: 376.34398

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H12N4O6S/c20-8-9-2-1-3-11(4-9)16-15(26)17-14(21)10-5-12(18(22)23)7-13(6-10)19(24)25/h1-7,20H,8H2,(H2,16,17,21,26)