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

Systemtic Name: 5-[[2-[3-(butanoylamino)phenyl]sulfanyl-2-phenyl-ethanoyl]amino]-2-chloranyl-benzoic acid Openeye Name: 5-[[2-[3-(butanoylamino)phenyl]sulfanyl-2-phenyl-acetyl]amino]-2-chloro-benzoic acid CAS Name: 2-chloro-5-[[1-oxo-2-[[3-(1-oxobutylamino)phenyl]thio]-2-phenylethyl]amino]benzoic acid IUPAC Name: 5-[[2-[3-(butanoylamino)phenyl]sulfanyl-2-phenylacetyl]amino]-2-chlorobenzoic acid Traditional Name: 5-[[2-[(3-butyramidophenyl)thio]-2-phenyl-acetyl]amino]-2-chloro-benzoic acid Formula: C25H23ClN2O4S MolecularWeight: 482.97912

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)NC1=CC(=CC=C1)SC(C2=CC=CC=C2)C(=O)NC3=CC(=C(C=C3)Cl)C(=O)O

Isomeric SMILES

CCCC(=O)NC1=CC(=CC=C1)SC(C2=CC=CC=C2)C(=O)NC3=CC(=C(C=C3)Cl)C(=O)O

InChI

InChI=1S/C25H23ClN2O4S/c1-2-7-22(29)27-17-10-6-11-19(14-17)33-23(16-8-4-3-5-9-16)24(30)28-18-12-13-21(26)20(15-18)25(31)32/h3-6,8-15,23H,2,7H2,1H3,(H,27,29)(H,28,30)(H,31,32)