5-[[2-[3-[(4-methylphenyl)carbamothioylamino]phenyl]sulfanyl-2-phenyl-ethanoyl]amino]-2-oxidanyl-benzoic acid

Systemtic Name: 5-[[2-[3-[(4-methylphenyl)carbamothioylamino]phenyl]sulfanyl-2-phenyl-ethanoyl]amino]-2-oxidanyl-benzoic acid Openeye Name: 2-hydroxy-5-[[2-phenyl-2-[3-(p-tolylcarbamothioylamino)phenyl]sulfanyl-acetyl]amino]benzoic acid CAS Name: 2-hydroxy-5-[[2-[[3-[[(4-methylanilino)-sulfanylidenemethyl]amino]phenyl]thio]-1-oxo-2-phenylethyl]amino]benzoic acid IUPAC Name: 2-hydroxy-5-[[2-[3-[(4-methylphenyl)carbamothioylamino]phenyl]sulfanyl-2-phenylacetyl]amino]benzoic acid Traditional Name: 2-hydroxy-5-[[2-phenyl-2-[[3-(p-tolylthiocarbamoylamino)phenyl]thio]acetyl]amino]benzoic acid Formula: C29H25N3O4S2 MolecularWeight: 543.6565

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=S)NC2=CC(=CC=C2)SC(C3=CC=CC=C3)C(=O)NC4=CC(=C(C=C4)O)C(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)NC(=S)NC2=CC(=CC=C2)SC(C3=CC=CC=C3)C(=O)NC4=CC(=C(C=C4)O)C(=O)O

InChI

InChI=1S/C29H25N3O4S2/c1-18-10-12-20(13-11-18)31-29(37)32-21-8-5-9-23(16-21)38-26(19-6-3-2-4-7-19)27(34)30-22-14-15-25(33)24(17-22)28(35)36/h2-17,26,33H,1H3,(H,30,34)(H,35,36)(H2,31,32,37)