N-[[(4-chloranyl-3-nitro-phenyl)carbonylamino]carbamothioyl]cyclohexanecarboxamide

Systemtic Name: N-[[(4-chloranyl-3-nitro-phenyl)carbonylamino]carbamothioyl]cyclohexanecarboxamide Openeye Name: N-[[(4-chloro-3-nitro-benzoyl)amino]carbamothioyl]cyclohexanecarboxamide CAS Name: N-[[[(4-chloro-3-nitrophenyl)-oxomethyl]hydrazo]-sulfanylidenemethyl]cyclohexanecarboxamide IUPAC Name: N-[[(4-chloro-3-nitrobenzoyl)amino]carbamothioyl]cyclohexanecarboxamide Traditional Name: N-[[(4-chloro-3-nitro-benzoyl)amino]thiocarbamoyl]cyclohexanecarboxamide Formula: C15H17ClN4O4S MolecularWeight: 384.83788

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C(=O)NC(=S)NNC(=O)C2=CC(=C(C=C2)Cl)[N+](=O)[O-]

Isomeric SMILES

C1CCC(CC1)C(=O)NC(=S)NNC(=O)C2=CC(=C(C=C2)Cl)[N+](=O)[O-]

InChI

InChI=1S/C15H17ClN4O4S/c16-11-7-6-10(8-12(11)20(23)24)14(22)18-19-15(25)17-13(21)9-4-2-1-3-5-9/h6-9H,1-5H2,(H,18,22)(H2,17,19,21,25)