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

Systemtic Name: 4-chloranyl-3-[(2-nitrophenyl)carbonylcarbamothioylamino]benzoic acid Openeye Name: 4-chloro-3-[(2-nitrobenzoyl)carbamothioylamino]benzoic acid CAS Name: 4-chloro-3-[[[[(2-nitrophenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]benzoic acid IUPAC Name: 4-chloro-3-[(2-nitrobenzoyl)carbamothioylamino]benzoic acid Traditional Name: 4-chloro-3-[(2-nitrobenzoyl)thiocarbamoylamino]benzoic acid Formula: C15H10ClN3O5S MolecularWeight: 379.775

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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