2-chloranyl-5-[[2-phenyl-2-[3-(phenylcarbamothioylamino)phenyl]sulfanyl-ethanoyl]amino]benzoic acid

Systemtic Name: 2-chloranyl-5-[[2-phenyl-2-[3-(phenylcarbamothioylamino)phenyl]sulfanyl-ethanoyl]amino]benzoic acid Openeye Name: 2-chloro-5-[[2-phenyl-2-[3-(phenylcarbamothioylamino)phenyl]sulfanyl-acetyl]amino]benzoic acid CAS Name: 5-[[2-[[3-[[anilino(sulfanylidene)methyl]amino]phenyl]thio]-1-oxo-2-phenylethyl]amino]-2-chlorobenzoic acid IUPAC Name: 2-chloro-5-[[2-phenyl-2-[3-(phenylcarbamothioylamino)phenyl]sulfanylacetyl]amino]benzoic acid Traditional Name: 2-chloro-5-[[2-phenyl-2-[[3-(phenylthiocarbamoylamino)phenyl]thio]acetyl]amino]benzoic acid Formula: C28H22ClN3O3S2 MolecularWeight: 548.07558

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(C(=O)NC2=CC(=C(C=C2)Cl)C(=O)O)SC3=CC=CC(=C3)NC(=S)NC4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)C(C(=O)NC2=CC(=C(C=C2)Cl)C(=O)O)SC3=CC=CC(=C3)NC(=S)NC4=CC=CC=C4

InChI

InChI=1S/C28H22ClN3O3S2/c29-24-15-14-21(17-23(24)27(34)35)30-26(33)25(18-8-3-1-4-9-18)37-22-13-7-12-20(16-22)32-28(36)31-19-10-5-2-6-11-19/h1-17,25H,(H,30,33)(H,34,35)(H2,31,32,36)