4-chloranyl-3-[(4-nitrophenyl)carbonylcarbamothioylamino]benzoate

Systemtic Name: 4-chloranyl-3-[(4-nitrophenyl)carbonylcarbamothioylamino]benzoate Openeye Name: 4-chloro-3-[(4-nitrobenzoyl)carbamothioylamino]benzoate CAS Name: 4-chloro-3-[[[[(4-nitrophenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]benzoate IUPAC Name: 4-chloro-3-[(4-nitrobenzoyl)carbamothioylamino]benzoate Traditional Name: 4-chloro-3-[(4-nitrobenzoyl)thiocarbamoylamino]benzoate Formula: C15H9ClN3O5S- MolecularWeight: 378.76706

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)NC(=S)NC2=C(C=CC(=C2)C(=O)[O-])Cl)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1C(=O)NC(=S)NC2=C(C=CC(=C2)C(=O)[O-])Cl)[N+](=O)[O-]

InChI

InChI=1S/C15H10ClN3O5S/c16-11-6-3-9(14(21)22)7-12(11)17-15(25)18-13(20)8-1-4-10(5-2-8)19(23)24/h1-7H,(H,21,22)(H2,17,18,20,25)/p-1