3,5-bis(chloranyl)-2-[(4-nitrophenyl)carbonylcarbamothioylamino]benzoic acid

Systemtic Name: 3,5-bis(chloranyl)-2-[(4-nitrophenyl)carbonylcarbamothioylamino]benzoic acid Openeye Name: 3,5-dichloro-2-[(4-nitrobenzoyl)carbamothioylamino]benzoic acid CAS Name: 3,5-dichloro-2-[[[[(4-nitrophenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]benzoic acid IUPAC Name: 3,5-dichloro-2-[(4-nitrobenzoyl)carbamothioylamino]benzoic acid Traditional Name: 3,5-dichloro-2-[(4-nitrobenzoyl)thiocarbamoylamino]benzoic acid Formula: C15H9Cl2N3O5S MolecularWeight: 414.22006

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)NC(=S)NC2=C(C=C(C=C2C(=O)O)Cl)Cl)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1C(=O)NC(=S)NC2=C(C=C(C=C2C(=O)O)Cl)Cl)[N+](=O)[O-]

InChI

InChI=1S/C15H9Cl2N3O5S/c16-8-5-10(14(22)23)12(11(17)6-8)18-15(26)19-13(21)7-1-3-9(4-2-7)20(24)25/h1-6H,(H,22,23)(H2,18,19,21,26)