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

Systemtic Name: 4-chloranyl-3-[[2-[3-(cyclopropylcarbonylamino)phenyl]sulfanyl-2-phenyl-ethanoyl]amino]benzoic acid Openeye Name: 4-chloro-3-[[2-[3-(cyclopropanecarbonylamino)phenyl]sulfanyl-2-phenyl-acetyl]amino]benzoic acid CAS Name: 4-chloro-3-[[2-[[3-[[cyclopropyl(oxo)methyl]amino]phenyl]thio]-1-oxo-2-phenylethyl]amino]benzoic acid IUPAC Name: 4-chloro-3-[[2-[3-(cyclopropanecarbonylamino)phenyl]sulfanyl-2-phenylacetyl]amino]benzoic acid Traditional Name: 4-chloro-3-[[2-[[3-(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(=CC=C2)SC(C3=CC=CC=C3)C(=O)NC4=C(C=CC(=C4)C(=O)O)Cl

Isomeric SMILES

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

InChI

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