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

Systemtic Name: 3-hexylsulfanyl-5-(5-oxidanylpentylcarbamoylamino)-1,2-thiazole-4-carboxylic acid Openeye Name: 3-hexylsulfanyl-5-(5-hydroxypentylcarbamoylamino)isothiazole-4-carboxylic acid CAS Name: 3-(hexylthio)-5-[[(5-hydroxypentylamino)-oxomethyl]amino]-4-isothiazolecarboxylic acid IUPAC Name: 3-hexylsulfanyl-5-(5-hydroxypentylcarbamoylamino)-1,2-thiazole-4-carboxylic acid Traditional Name: 3-(hexylthio)-5-(5-hydroxypentylcarbamoylamino)isothiazole-4-carboxylic acid Formula: C16H27N3O4S2 MolecularWeight: 389.53328

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCSC1=NSC(=C1C(=O)O)NC(=O)NCCCCCO

Isomeric SMILES

CCCCCCSC1=NSC(=C1C(=O)O)NC(=O)NCCCCCO

InChI

InChI=1S/C16H27N3O4S2/c1-2-3-4-8-11-24-14-12(15(21)22)13(25-19-14)18-16(23)17-9-6-5-7-10-20/h20H,2-11H2,1H3,(H,21,22)(H2,17,18,23)