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

Systemtic Name: 4-[[[5-(cyclohexylcarbamoyl)-6-propylsulfanyl-pyridin-2-yl]amino]methyl]cyclohexane-1-carboxylic acid Openeye Name: 4-[[[5-(cyclohexylcarbamoyl)-6-propylsulfanyl-2-pyridyl]amino]methyl]cyclohexanecarboxylic acid CAS Name: 4-[[[5-[(cyclohexylamino)-oxomethyl]-6-(propylthio)-2-pyridinyl]amino]methyl]-1-cyclohexanecarboxylic acid IUPAC Name: 4-[[[5-(cyclohexylcarbamoyl)-6-propylsulfanylpyridin-2-yl]amino]methyl]cyclohexane-1-carboxylic acid Traditional Name: 4-[[[5-(cyclohexylcarbamoyl)-6-(propylthio)-2-pyridyl]amino]methyl]cyclohexanecarboxylic acid Formula: C23H35N3O3S MolecularWeight: 433.6073

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Descriptors Computed from Structure

Canonical SMILES:

CCCSC1=C(C=CC(=N1)NCC2CCC(CC2)C(=O)O)C(=O)NC3CCCCC3

Isomeric SMILES

CCCSC1=C(C=CC(=N1)NCC2CCC(CC2)C(=O)O)C(=O)NC3CCCCC3

InChI

InChI=1S/C23H35N3O3S/c1-2-14-30-22-19(21(27)25-18-6-4-3-5-7-18)12-13-20(26-22)24-15-16-8-10-17(11-9-16)23(28)29/h12-13,16-18H,2-11,14-15H2,1H3,(H,24,26)(H,25,27)(H,28,29)