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

Systemtic Name: N-[[(4-chloranyl-3-nitro-phenyl)carbonylamino]carbamothioyl]-2-(2-methylphenoxy)ethanamide Openeye Name: N-[[(4-chloro-3-nitro-benzoyl)amino]carbamothioyl]-2-(2-methylphenoxy)acetamide CAS Name: N-[[[(4-chloro-3-nitrophenyl)-oxomethyl]hydrazo]-sulfanylidenemethyl]-2-(2-methylphenoxy)acetamide IUPAC Name: N-[[(4-chloro-3-nitrobenzoyl)amino]carbamothioyl]-2-(2-methylphenoxy)acetamide Traditional Name: N-[[(4-chloro-3-nitro-benzoyl)amino]thiocarbamoyl]-2-(2-methylphenoxy)acetamide Formula: C17H15ClN4O5S MolecularWeight: 422.8428

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1OCC(=O)NC(=S)NNC(=O)C2=CC(=C(C=C2)Cl)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=CC=C1OCC(=O)NC(=S)NNC(=O)C2=CC(=C(C=C2)Cl)[N+](=O)[O-]

InChI

InChI=1S/C17H15ClN4O5S/c1-10-4-2-3-5-14(10)27-9-15(23)19-17(28)21-20-16(24)11-6-7-12(18)13(8-11)22(25)26/h2-8H,9H2,1H3,(H,20,24)(H2,19,21,23,28)