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

Systemtic Name: 4-[[2-[3-(cyclohexylcarbonylamino)phenyl]sulfanyl-2-phenyl-ethanoyl]amino]benzoic acid Openeye Name: 4-[[2-[3-(cyclohexanecarbonylamino)phenyl]sulfanyl-2-phenyl-acetyl]amino]benzoic acid CAS Name: 4-[[2-[[3-[[cyclohexyl(oxo)methyl]amino]phenyl]thio]-1-oxo-2-phenylethyl]amino]benzoic acid IUPAC Name: 4-[[2-[3-(cyclohexanecarbonylamino)phenyl]sulfanyl-2-phenylacetyl]amino]benzoic acid Traditional Name: 4-[[2-[[3-(cyclohexanecarbonylamino)phenyl]thio]-2-phenyl-acetyl]amino]benzoic acid Formula: C28H28N2O4S MolecularWeight: 488.59792

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C(=O)NC2=CC(=CC=C2)SC(C3=CC=CC=C3)C(=O)NC4=CC=C(C=C4)C(=O)O

Isomeric SMILES

C1CCC(CC1)C(=O)NC2=CC(=CC=C2)SC(C3=CC=CC=C3)C(=O)NC4=CC=C(C=C4)C(=O)O

InChI

InChI=1S/C28H28N2O4S/c31-26(20-10-5-2-6-11-20)30-23-12-7-13-24(18-23)35-25(19-8-3-1-4-9-19)27(32)29-22-16-14-21(15-17-22)28(33)34/h1,3-4,7-9,12-18,20,25H,2,5-6,10-11H2,(H,29,32)(H,30,31)(H,33,34)