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

Systemtic Name: 3-[[2-[3-(butanoylamino)phenyl]sulfanyl-2-phenyl-ethanoyl]amino]-4-chloranyl-benzoic acid Openeye Name: 3-[[2-[3-(butanoylamino)phenyl]sulfanyl-2-phenyl-acetyl]amino]-4-chloro-benzoic acid CAS Name: 4-chloro-3-[[1-oxo-2-[[3-(1-oxobutylamino)phenyl]thio]-2-phenylethyl]amino]benzoic acid IUPAC Name: 3-[[2-[3-(butanoylamino)phenyl]sulfanyl-2-phenylacetyl]amino]-4-chlorobenzoic acid Traditional Name: 3-[[2-[(3-butyramidophenyl)thio]-2-phenyl-acetyl]amino]-4-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=C(C=CC(=C3)C(=O)O)Cl

Isomeric SMILES

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

InChI

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