4-[[5-(cyclohexylcarbamoyl)-6-propylsulfanyl-pyridin-2-yl]amino]cyclohexane-1-carboxylic acid

Systemtic Name: 4-[[5-(cyclohexylcarbamoyl)-6-propylsulfanyl-pyridin-2-yl]amino]cyclohexane-1-carboxylic acid Openeye Name: 4-[[5-(cyclohexylcarbamoyl)-6-propylsulfanyl-2-pyridyl]amino]cyclohexanecarboxylic acid CAS Name: 4-[[5-[(cyclohexylamino)-oxomethyl]-6-(propylthio)-2-pyridinyl]amino]-1-cyclohexanecarboxylic acid IUPAC Name: 4-[[5-(cyclohexylcarbamoyl)-6-propylsulfanylpyridin-2-yl]amino]cyclohexane-1-carboxylic acid Traditional Name: 4-[[5-(cyclohexylcarbamoyl)-6-(propylthio)-2-pyridyl]amino]cyclohexanecarboxylic acid Formula: C22H33N3O3S MolecularWeight: 419.58072

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Descriptors Computed from Structure

Canonical SMILES:

CCCSC1=C(C=CC(=N1)NC2CCC(CC2)C(=O)O)C(=O)NC3CCCCC3

Isomeric SMILES

CCCSC1=C(C=CC(=N1)NC2CCC(CC2)C(=O)O)C(=O)NC3CCCCC3

InChI

InChI=1S/C22H33N3O3S/c1-2-14-29-21-18(20(26)24-16-6-4-3-5-7-16)12-13-19(25-21)23-17-10-8-15(9-11-17)22(27)28/h12-13,15-17H,2-11,14H2,1H3,(H,23,25)(H,24,26)(H,27,28)