3-hexylsulfanyl-5-(2-pyridin-2-ylethylcarbamoylamino)-1,2-thiazole-4-carboxylic acid

Systemtic Name: 3-hexylsulfanyl-5-(2-pyridin-2-ylethylcarbamoylamino)-1,2-thiazole-4-carboxylic acid Openeye Name: 3-hexylsulfanyl-5-[2-(2-pyridyl)ethylcarbamoylamino]isothiazole-4-carboxylic acid CAS Name: 3-(hexylthio)-5-[[oxo-[2-(2-pyridinyl)ethylamino]methyl]amino]-4-isothiazolecarboxylic acid IUPAC Name: 3-hexylsulfanyl-5-(2-pyridin-2-ylethylcarbamoylamino)-1,2-thiazole-4-carboxylic acid Traditional Name: 3-(hexylthio)-5-[2-(2-pyridyl)ethylcarbamoylamino]isothiazole-4-carboxylic acid Formula: C18H24N4O3S2 MolecularWeight: 408.53816

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCSC1=NSC(=C1C(=O)O)NC(=O)NCCC2=CC=CC=N2

Isomeric SMILES

CCCCCCSC1=NSC(=C1C(=O)O)NC(=O)NCCC2=CC=CC=N2

InChI

InChI=1S/C18H24N4O3S2/c1-2-3-4-7-12-26-16-14(17(23)24)15(27-22-16)21-18(25)20-11-9-13-8-5-6-10-19-13/h5-6,8,10H,2-4,7,9,11-12H2,1H3,(H,23,24)(H2,20,21,25)