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

Systemtic Name: N-[[(4-chloranyl-3-nitro-phenyl)carbonylamino]carbamothioyl]-2-phenyl-ethanamide Openeye Name: N-[[(4-chloro-3-nitro-benzoyl)amino]carbamothioyl]-2-phenyl-acetamide CAS Name: N-[[[(4-chloro-3-nitrophenyl)-oxomethyl]hydrazo]-sulfanylidenemethyl]-2-phenylacetamide IUPAC Name: N-[[(4-chloro-3-nitrobenzoyl)amino]carbamothioyl]-2-phenylacetamide Traditional Name: N-[[(4-chloro-3-nitro-benzoyl)amino]thiocarbamoyl]-2-phenyl-acetamide Formula: C16H13ClN4O4S MolecularWeight: 392.81682

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H13ClN4O4S/c17-12-7-6-11(9-13(12)21(24)25)15(23)19-20-16(26)18-14(22)8-10-4-2-1-3-5-10/h1-7,9H,8H2,(H,19,23)(H2,18,20,22,26)