N-[[(4-hydroxyphenyl)carbonylamino]carbamothioyl]-3,5-dinitro-benzamide

Systemtic Name: N-[[(4-hydroxyphenyl)carbonylamino]carbamothioyl]-3,5-dinitro-benzamide Openeye Name: N-[[(4-hydroxybenzoyl)amino]carbamothioyl]-3,5-dinitro-benzamide CAS Name: N-[[[(4-hydroxyphenyl)-oxomethyl]hydrazo]-sulfanylidenemethyl]-3,5-dinitrobenzamide IUPAC Name: N-[[(4-hydroxybenzoyl)amino]carbamothioyl]-3,5-dinitrobenzamide Traditional Name: N-[[(4-hydroxybenzoyl)amino]thiocarbamoyl]-3,5-dinitro-benzamide Formula: C15H11N5O7S MolecularWeight: 405.34214

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)NNC(=S)NC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-])O

Isomeric SMILES

C1=CC(=CC=C1C(=O)NNC(=S)NC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-])O

InChI

InChI=1S/C15H11N5O7S/c21-12-3-1-8(2-4-12)14(23)17-18-15(28)16-13(22)9-5-10(19(24)25)7-11(6-9)20(26)27/h1-7,21H,(H,17,23)(H2,16,18,22,28)