N-[[(2,4-dichlorophenyl)carbonylamino]carbamothioyl]-3,5-dinitro-benzamide

Systemtic Name: N-[[(2,4-dichlorophenyl)carbonylamino]carbamothioyl]-3,5-dinitro-benzamide Openeye Name: N-[[(2,4-dichlorobenzoyl)amino]carbamothioyl]-3,5-dinitro-benzamide CAS Name: N-[[[(2,4-dichlorophenyl)-oxomethyl]hydrazo]-sulfanylidenemethyl]-3,5-dinitrobenzamide IUPAC Name: N-[[(2,4-dichlorobenzoyl)amino]carbamothioyl]-3,5-dinitrobenzamide Traditional Name: N-[[(2,4-dichlorobenzoyl)amino]thiocarbamoyl]-3,5-dinitro-benzamide Formula: C15H9Cl2N5O6S MolecularWeight: 458.23286

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1Cl)Cl)C(=O)NNC(=S)NC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1=CC(=C(C=C1Cl)Cl)C(=O)NNC(=S)NC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C15H9Cl2N5O6S/c16-8-1-2-11(12(17)5-8)14(24)19-20-15(29)18-13(23)7-3-9(21(25)26)6-10(4-7)22(27)28/h1-6H,(H,19,24)(H2,18,20,23,29)