2-chloranyl-5-[[2-[4-(cyclopropylcarbonylamino)phenyl]sulfanyl-2-phenyl-ethanoyl]amino]benzoic acid

Systemtic Name: 2-chloranyl-5-[[2-[4-(cyclopropylcarbonylamino)phenyl]sulfanyl-2-phenyl-ethanoyl]amino]benzoic acid Openeye Name: 2-chloro-5-[[2-[4-(cyclopropanecarbonylamino)phenyl]sulfanyl-2-phenyl-acetyl]amino]benzoic acid CAS Name: 2-chloro-5-[[2-[[4-[[cyclopropyl(oxo)methyl]amino]phenyl]thio]-1-oxo-2-phenylethyl]amino]benzoic acid IUPAC Name: 2-chloro-5-[[2-[4-(cyclopropanecarbonylamino)phenyl]sulfanyl-2-phenylacetyl]amino]benzoic acid Traditional Name: 2-chloro-5-[[2-[[4-(cyclopropanecarbonylamino)phenyl]thio]-2-phenyl-acetyl]amino]benzoic acid Formula: C25H21ClN2O4S MolecularWeight: 480.96324

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C(=O)NC2=CC=C(C=C2)SC(C3=CC=CC=C3)C(=O)NC4=CC(=C(C=C4)Cl)C(=O)O

Isomeric SMILES

C1CC1C(=O)NC2=CC=C(C=C2)SC(C3=CC=CC=C3)C(=O)NC4=CC(=C(C=C4)Cl)C(=O)O

InChI

InChI=1S/C25H21ClN2O4S/c26-21-13-10-18(14-20(21)25(31)32)28-24(30)22(15-4-2-1-3-5-15)33-19-11-8-17(9-12-19)27-23(29)16-6-7-16/h1-5,8-14,16,22H,6-7H2,(H,27,29)(H,28,30)(H,31,32)