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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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