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

Systemtic Name: 4-chloranyl-3-[[2-phenyl-2-[3-(phenylcarbamothioylamino)phenyl]sulfanyl-ethanoyl]amino]benzoic acid Openeye Name: 4-chloro-3-[[2-phenyl-2-[3-(phenylcarbamothioylamino)phenyl]sulfanyl-acetyl]amino]benzoic acid CAS Name: 3-[[2-[[3-[[anilino(sulfanylidene)methyl]amino]phenyl]thio]-1-oxo-2-phenylethyl]amino]-4-chlorobenzoic acid IUPAC Name: 4-chloro-3-[[2-phenyl-2-[3-(phenylcarbamothioylamino)phenyl]sulfanylacetyl]amino]benzoic acid Traditional Name: 4-chloro-3-[[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=C(C=CC(=C2)C(=O)O)Cl)SC3=CC=CC(=C3)NC(=S)NC4=CC=CC=C4

Isomeric SMILES

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

InChI

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