2-[5-(cyclohexylcarbamoyl)-6-propylsulfanyl-pyridin-2-yl]sulfanylbenzoic acid

Systemtic Name: 2-[5-(cyclohexylcarbamoyl)-6-propylsulfanyl-pyridin-2-yl]sulfanylbenzoic acid Openeye Name: 2-[[5-(cyclohexylcarbamoyl)-6-propylsulfanyl-2-pyridyl]sulfanyl]benzoic acid CAS Name: 2-[[5-[(cyclohexylamino)-oxomethyl]-6-(propylthio)-2-pyridinyl]thio]benzoic acid IUPAC Name: 2-[5-(cyclohexylcarbamoyl)-6-propylsulfanylpyridin-2-yl]sulfanylbenzoic acid Traditional Name: 2-[[5-(cyclohexylcarbamoyl)-6-(propylthio)-2-pyridyl]thio]benzoic acid Formula: C22H26N2O3S2 MolecularWeight: 430.58344

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCSC1=C(C=CC(=N1)SC2=CC=CC=C2C(=O)O)C(=O)NC3CCCCC3

Isomeric SMILES

CCCSC1=C(C=CC(=N1)SC2=CC=CC=C2C(=O)O)C(=O)NC3CCCCC3

InChI

InChI=1S/C22H26N2O3S2/c1-2-14-28-21-17(20(25)23-15-8-4-3-5-9-15)12-13-19(24-21)29-18-11-7-6-10-16(18)22(26)27/h6-7,10-13,15H,2-5,8-9,14H2,1H3,(H,23,25)(H,26,27)