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

Systemtic Name: 4-chloranyl-3-[(4-methoxy-3-nitro-phenyl)carbonylcarbamothioylamino]benzoate Openeye Name: 4-chloro-3-[(4-methoxy-3-nitro-benzoyl)carbamothioylamino]benzoate CAS Name: 4-chloro-3-[[[[(4-methoxy-3-nitrophenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]benzoate IUPAC Name: 4-chloro-3-[(4-methoxy-3-nitrobenzoyl)carbamothioylamino]benzoate Traditional Name: 4-chloro-3-[(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=C(C=CC(=C2)C(=O)[O-])Cl)[N+](=O)[O-]

Isomeric SMILES

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

InChI

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