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

Systemtic Name: N-[[(4-chloranyl-3-nitro-phenyl)carbonylamino]carbamothioyl]-4-methoxy-benzamide Openeye Name: N-[[(4-chloro-3-nitro-benzoyl)amino]carbamothioyl]-4-methoxy-benzamide CAS Name: N-[[[(4-chloro-3-nitrophenyl)-oxomethyl]hydrazo]-sulfanylidenemethyl]-4-methoxybenzamide IUPAC Name: N-[[(4-chloro-3-nitrobenzoyl)amino]carbamothioyl]-4-methoxybenzamide Traditional Name: N-[[(4-chloro-3-nitro-benzoyl)amino]thiocarbamoyl]-4-methoxy-benzamide Formula: C16H13ClN4O5S MolecularWeight: 408.81622

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(=O)NC(=S)NNC(=O)C2=CC(=C(C=C2)Cl)[N+](=O)[O-]

Isomeric SMILES

COC1=CC=C(C=C1)C(=O)NC(=S)NNC(=O)C2=CC(=C(C=C2)Cl)[N+](=O)[O-]

InChI

InChI=1S/C16H13ClN4O5S/c1-26-11-5-2-9(3-6-11)14(22)18-16(27)20-19-15(23)10-4-7-12(17)13(8-10)21(24)25/h2-8H,1H3,(H,19,23)(H2,18,20,22,27)