2-chloranyl-5-[(4-methoxy-3-nitro-phenyl)carbonylcarbamothioylamino]benzoate

Systemtic Name: 2-chloranyl-5-[(4-methoxy-3-nitro-phenyl)carbonylcarbamothioylamino]benzoate Openeye Name: 2-chloro-5-[(4-methoxy-3-nitro-benzoyl)carbamothioylamino]benzoate CAS Name: 2-chloro-5-[[[[(4-methoxy-3-nitrophenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]benzoate IUPAC Name: 2-chloro-5-[(4-methoxy-3-nitrobenzoyl)carbamothioylamino]benzoate Traditional Name: 2-chloro-5-[(4-methoxy-3-nitro-benzoyl)thiocarbamoylamino]benzoate Formula: C16H11ClN3O6S- MolecularWeight: 408.79304

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC(=C(C=C2)Cl)C(=O)[O-])[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC(=C(C=C2)Cl)C(=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C16H12ClN3O6S/c1-26-13-5-2-8(6-12(13)20(24)25)14(21)19-16(27)18-9-3-4-11(17)10(7-9)15(22)23/h2-7H,1H3,(H,22,23)(H2,18,19,21,27)/p-1