4-[5-(cyclohexylcarbamoyl)-6-propylsulfanyl-pyridin-2-yl]sulfanylbenzoic acid

Systemtic Name: 4-[5-(cyclohexylcarbamoyl)-6-propylsulfanyl-pyridin-2-yl]sulfanylbenzoic acid Openeye Name: 4-[[5-(cyclohexylcarbamoyl)-6-propylsulfanyl-2-pyridyl]sulfanyl]benzoic acid CAS Name: 4-[[5-[(cyclohexylamino)-oxomethyl]-6-(propylthio)-2-pyridinyl]thio]benzoic acid IUPAC Name: 4-[5-(cyclohexylcarbamoyl)-6-propylsulfanylpyridin-2-yl]sulfanylbenzoic acid Traditional Name: 4-[[5-(cyclohexylcarbamoyl)-6-(propylthio)-2-pyridyl]thio]benzoic acid Formula: C22H26N2O3S2 MolecularWeight: 430.58344

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Descriptors Computed from Structure

Canonical SMILES:

CCCSC1=C(C=CC(=N1)SC2=CC=C(C=C2)C(=O)O)C(=O)NC3CCCCC3

Isomeric SMILES

CCCSC1=C(C=CC(=N1)SC2=CC=C(C=C2)C(=O)O)C(=O)NC3CCCCC3

InChI

InChI=1S/C22H26N2O3S2/c1-2-14-28-21-18(20(25)23-16-6-4-3-5-7-16)12-13-19(24-21)29-17-10-8-15(9-11-17)22(26)27/h8-13,16H,2-7,14H2,1H3,(H,23,25)(H,26,27)