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

Systemtic Name: 4-[2-[3-(cyclohexylcarbonylamino)phenyl]sulfanylbutanoylamino]benzoic acid Openeye Name: 4-[2-[3-(cyclohexanecarbonylamino)phenyl]sulfanylbutanoylamino]benzoic acid CAS Name: 4-[[2-[[3-[[cyclohexyl(oxo)methyl]amino]phenyl]thio]-1-oxobutyl]amino]benzoic acid IUPAC Name: 4-[2-[3-(cyclohexanecarbonylamino)phenyl]sulfanylbutanoylamino]benzoic acid Traditional Name: 4-[2-[[3-(cyclohexanecarbonylamino)phenyl]thio]butanoylamino]benzoic acid Formula: C24H28N2O4S MolecularWeight: 440.55512

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H28N2O4S/c1-2-21(23(28)25-18-13-11-17(12-14-18)24(29)30)31-20-10-6-9-19(15-20)26-22(27)16-7-4-3-5-8-16/h6,9-16,21H,2-5,7-8H2,1H3,(H,25,28)(H,26,27)(H,29,30)