4-[[(2-chloranyl-4-nitro-phenyl)carbamothioylamino]methyl]benzoic acid

Systemtic Name: 4-[[(2-chloranyl-4-nitro-phenyl)carbamothioylamino]methyl]benzoic acid Openeye Name: 4-[[(2-chloro-4-nitro-phenyl)carbamothioylamino]methyl]benzoic acid CAS Name: 4-[[[(2-chloro-4-nitroanilino)-sulfanylidenemethyl]amino]methyl]benzoic acid IUPAC Name: 4-[[(2-chloro-4-nitrophenyl)carbamothioylamino]methyl]benzoic acid Traditional Name: 4-[[(2-chloro-4-nitro-phenyl)thiocarbamoylamino]methyl]benzoic acid Formula: C15H12ClN3O4S MolecularWeight: 365.79148

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CNC(=S)NC2=C(C=C(C=C2)[N+](=O)[O-])Cl)C(=O)O

Isomeric SMILES

C1=CC(=CC=C1CNC(=S)NC2=C(C=C(C=C2)[N+](=O)[O-])Cl)C(=O)O

InChI

InChI=1S/C15H12ClN3O4S/c16-12-7-11(19(22)23)5-6-13(12)18-15(24)17-8-9-1-3-10(4-2-9)14(20)21/h1-7H,8H2,(H,20,21)(H2,17,18,24)