4-chloranyl-3-[2-[3-(2-phenylethanoylamino)phenyl]sulfanylbutanoylamino]benzoic acid

Systemtic Name: 4-chloranyl-3-[2-[3-(2-phenylethanoylamino)phenyl]sulfanylbutanoylamino]benzoic acid Openeye Name: 4-chloro-3-[2-[3-[(2-phenylacetyl)amino]phenyl]sulfanylbutanoylamino]benzoic acid CAS Name: 4-chloro-3-[[1-oxo-2-[[3-[(1-oxo-2-phenylethyl)amino]phenyl]thio]butyl]amino]benzoic acid IUPAC Name: 4-chloro-3-[2-[3-[(2-phenylacetyl)amino]phenyl]sulfanylbutanoylamino]benzoic acid Traditional Name: 4-chloro-3-[2-[[3-[(2-phenylacetyl)amino]phenyl]thio]butanoylamino]benzoic acid Formula: C25H23ClN2O4S MolecularWeight: 482.97912

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=C(C=CC(=C1)C(=O)O)Cl)SC2=CC=CC(=C2)NC(=O)CC3=CC=CC=C3

Isomeric SMILES

CCC(C(=O)NC1=C(C=CC(=C1)C(=O)O)Cl)SC2=CC=CC(=C2)NC(=O)CC3=CC=CC=C3

InChI

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