N-[[(4-chloranyl-3-nitro-phenyl)carbonylamino]carbamothioyl]-2-(4-nitrophenoxy)ethanamide

Systemtic Name: N-[[(4-chloranyl-3-nitro-phenyl)carbonylamino]carbamothioyl]-2-(4-nitrophenoxy)ethanamide Openeye Name: N-[[(4-chloro-3-nitro-benzoyl)amino]carbamothioyl]-2-(4-nitrophenoxy)acetamide CAS Name: N-[[[(4-chloro-3-nitrophenyl)-oxomethyl]hydrazo]-sulfanylidenemethyl]-2-(4-nitrophenoxy)acetamide IUPAC Name: N-[[(4-chloro-3-nitrobenzoyl)amino]carbamothioyl]-2-(4-nitrophenoxy)acetamide Traditional Name: N-[[(4-chloro-3-nitro-benzoyl)amino]thiocarbamoyl]-2-(4-nitrophenoxy)acetamide Formula: C16H12ClN5O7S MolecularWeight: 453.81378

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H12ClN5O7S/c17-12-6-1-9(7-13(12)22(27)28)15(24)19-20-16(30)18-14(23)8-29-11-4-2-10(3-5-11)21(25)26/h1-7H,8H2,(H,19,24)(H2,18,20,23,30)