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

Systemtic Name: 5-[[2-[3-[(4-ethanoylphenyl)carbamothioylamino]phenyl]sulfanyl-2-phenyl-ethanoyl]amino]-2-oxidanyl-benzoic acid Openeye Name: 5-[[2-[3-[(4-acetylphenyl)carbamothioylamino]phenyl]sulfanyl-2-phenyl-acetyl]amino]-2-hydroxy-benzoic acid CAS Name: 5-[[2-[[3-[[(4-acetylanilino)-sulfanylidenemethyl]amino]phenyl]thio]-1-oxo-2-phenylethyl]amino]-2-hydroxybenzoic acid IUPAC Name: 5-[[2-[3-[(4-acetylphenyl)carbamothioylamino]phenyl]sulfanyl-2-phenylacetyl]amino]-2-hydroxybenzoic acid Traditional Name: 5-[[2-[[3-[(4-acetylphenyl)thiocarbamoylamino]phenyl]thio]-2-phenyl-acetyl]amino]-2-hydroxy-benzoic acid Formula: C30H25N3O5S2 MolecularWeight: 571.6666

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=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

CC(=O)C1=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/C30H25N3O5S2/c1-18(34)19-10-12-21(13-11-19)32-30(39)33-22-8-5-9-24(16-22)40-27(20-6-3-2-4-7-20)28(36)31-23-14-15-26(35)25(17-23)29(37)38/h2-17,27,35H,1H3,(H,31,36)(H,37,38)(H2,32,33,39)