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

Systemtic Name: 3,5-bis(chloranyl)-2-[(3,5-dinitrophenyl)carbonylcarbamothioylamino]benzoic acid Openeye Name: 3,5-dichloro-2-[(3,5-dinitrobenzoyl)carbamothioylamino]benzoic acid CAS Name: 3,5-dichloro-2-[[[[(3,5-dinitrophenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]benzoic acid IUPAC Name: 3,5-dichloro-2-[(3,5-dinitrobenzoyl)carbamothioylamino]benzoic acid Traditional Name: 3,5-dichloro-2-[(3,5-dinitrobenzoyl)thiocarbamoylamino]benzoic acid Formula: C15H8Cl2N4O7S MolecularWeight: 459.21762

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H8Cl2N4O7S/c16-7-3-10(14(23)24)12(11(17)4-7)18-15(29)19-13(22)6-1-8(20(25)26)5-9(2-6)21(27)28/h1-5H,(H,23,24)(H2,18,19,22,29)