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

Systemtic Name: N-[[(4-chloranyl-3-nitro-phenyl)carbonylamino]carbamothioyl]cyclopropanecarboxamide Openeye Name: N-[[(4-chloro-3-nitro-benzoyl)amino]carbamothioyl]cyclopropanecarboxamide CAS Name: N-[[[(4-chloro-3-nitrophenyl)-oxomethyl]hydrazo]-sulfanylidenemethyl]cyclopropanecarboxamide IUPAC Name: N-[[(4-chloro-3-nitrobenzoyl)amino]carbamothioyl]cyclopropanecarboxamide Traditional Name: N-[[(4-chloro-3-nitro-benzoyl)amino]thiocarbamoyl]cyclopropanecarboxamide Formula: C12H11ClN4O4S MolecularWeight: 342.75814

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C(=O)NC(=S)NNC(=O)C2=CC(=C(C=C2)Cl)[N+](=O)[O-]

Isomeric SMILES

C1CC1C(=O)NC(=S)NNC(=O)C2=CC(=C(C=C2)Cl)[N+](=O)[O-]

InChI

InChI=1S/C12H11ClN4O4S/c13-8-4-3-7(5-9(8)17(20)21)11(19)15-16-12(22)14-10(18)6-1-2-6/h3-6H,1-2H2,(H,15,19)(H2,14,16,18,22)