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

Systemtic Name: 3-[[2-[3-(cyclopropylcarbonylamino)phenyl]sulfanyl-2-phenyl-ethanoyl]amino]benzoic acid Openeye Name: 3-[[2-[3-(cyclopropanecarbonylamino)phenyl]sulfanyl-2-phenyl-acetyl]amino]benzoic acid CAS Name: 3-[[2-[[3-[[cyclopropyl(oxo)methyl]amino]phenyl]thio]-1-oxo-2-phenylethyl]amino]benzoic acid IUPAC Name: 3-[[2-[3-(cyclopropanecarbonylamino)phenyl]sulfanyl-2-phenylacetyl]amino]benzoic acid Traditional Name: 3-[[2-[[3-(cyclopropanecarbonylamino)phenyl]thio]-2-phenyl-acetyl]amino]benzoic acid Formula: C25H22N2O4S MolecularWeight: 446.51818

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H22N2O4S/c28-23(17-12-13-17)26-20-10-5-11-21(15-20)32-22(16-6-2-1-3-7-16)24(29)27-19-9-4-8-18(14-19)25(30)31/h1-11,14-15,17,22H,12-13H2,(H,26,28)(H,27,29)(H,30,31)