2-[[5-chloranyl-2-(phenylcarbamothioylamino)phenyl]amino]benzoic acid

Systemtic Name: 2-[[5-chloranyl-2-(phenylcarbamothioylamino)phenyl]amino]benzoic acid Openeye Name: 2-[5-chloro-2-(phenylcarbamothioylamino)anilino]benzoic acid CAS Name: 2-[2-[[anilino(sulfanylidene)methyl]amino]-5-chloroanilino]benzoic acid IUPAC Name: 2-[5-chloro-2-(phenylcarbamothioylamino)anilino]benzoic acid Traditional Name: 2-[5-chloro-2-(phenylthiocarbamoylamino)anilino]benzoic acid Formula: C20H16ClN3O2S MolecularWeight: 397.87794

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NC(=S)NC2=C(C=C(C=C2)Cl)NC3=CC=CC=C3C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)NC(=S)NC2=C(C=C(C=C2)Cl)NC3=CC=CC=C3C(=O)O

InChI

InChI=1S/C20H16ClN3O2S/c21-13-10-11-17(24-20(27)22-14-6-2-1-3-7-14)18(12-13)23-16-9-5-4-8-15(16)19(25)26/h1-12,23H,(H,25,26)(H2,22,24,27)