N-[[(4-chloranyl-3-nitro-phenyl)carbonylamino]carbamothioyl]-2-(2,5-dimethylphenoxy)ethanamide

Systemtic Name: N-[[(4-chloranyl-3-nitro-phenyl)carbonylamino]carbamothioyl]-2-(2,5-dimethylphenoxy)ethanamide Openeye Name: N-[[(4-chloro-3-nitro-benzoyl)amino]carbamothioyl]-2-(2,5-dimethylphenoxy)acetamide CAS Name: N-[[[(4-chloro-3-nitrophenyl)-oxomethyl]hydrazo]-sulfanylidenemethyl]-2-(2,5-dimethylphenoxy)acetamide IUPAC Name: N-[[(4-chloro-3-nitrobenzoyl)amino]carbamothioyl]-2-(2,5-dimethylphenoxy)acetamide Traditional Name: N-[[(4-chloro-3-nitro-benzoyl)amino]thiocarbamoyl]-2-(2,5-dimethylphenoxy)acetamide Formula: C18H17ClN4O5S MolecularWeight: 436.86938

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)OCC(=O)NC(=S)NNC(=O)C2=CC(=C(C=C2)Cl)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(C=C1)C)OCC(=O)NC(=S)NNC(=O)C2=CC(=C(C=C2)Cl)[N+](=O)[O-]

InChI

InChI=1S/C18H17ClN4O5S/c1-10-3-4-11(2)15(7-10)28-9-16(24)20-18(29)22-21-17(25)12-5-6-13(19)14(8-12)23(26)27/h3-8H,9H2,1-2H3,(H,21,25)(H2,20,22,24,29)