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

Systemtic Name: 3-[2-[3-(cyclohexylcarbonylamino)phenyl]sulfanylbutanoylamino]benzoic acid Openeye Name: 3-[2-[3-(cyclohexanecarbonylamino)phenyl]sulfanylbutanoylamino]benzoic acid CAS Name: 3-[[2-[[3-[[cyclohexyl(oxo)methyl]amino]phenyl]thio]-1-oxobutyl]amino]benzoic acid IUPAC Name: 3-[2-[3-(cyclohexanecarbonylamino)phenyl]sulfanylbutanoylamino]benzoic acid Traditional Name: 3-[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=CC(=C1)C(=O)O)SC2=CC=CC(=C2)NC(=O)C3CCCCC3

Isomeric SMILES

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

InChI

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