4-[2-[3-(cyclohexylcarbonylamino)phenyl]sulfanylpropanoylamino]benzoic acid

Systemtic Name: 4-[2-[3-(cyclohexylcarbonylamino)phenyl]sulfanylpropanoylamino]benzoic acid Openeye Name: 4-[2-[3-(cyclohexanecarbonylamino)phenyl]sulfanylpropanoylamino]benzoic acid CAS Name: 4-[[2-[[3-[[cyclohexyl(oxo)methyl]amino]phenyl]thio]-1-oxopropyl]amino]benzoic acid IUPAC Name: 4-[2-[3-(cyclohexanecarbonylamino)phenyl]sulfanylpropanoylamino]benzoic acid Traditional Name: 4-[2-[[3-(cyclohexanecarbonylamino)phenyl]thio]propanoylamino]benzoic acid Formula: C23H26N2O4S MolecularWeight: 426.52854

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)C(=O)O)SC2=CC=CC(=C2)NC(=O)C3CCCCC3

Isomeric SMILES

CC(C(=O)NC1=CC=C(C=C1)C(=O)O)SC2=CC=CC(=C2)NC(=O)C3CCCCC3

InChI

InChI=1S/C23H26N2O4S/c1-15(21(26)24-18-12-10-17(11-13-18)23(28)29)30-20-9-5-8-19(14-20)25-22(27)16-6-3-2-4-7-16/h5,8-16H,2-4,6-7H2,1H3,(H,24,26)(H,25,27)(H,28,29)