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

Systemtic Name: 3-hexylsulfanyl-5-(3-oxidanylpropylcarbamoylamino)-1,2-thiazole-4-carboxylic acid Openeye Name: 3-hexylsulfanyl-5-(3-hydroxypropylcarbamoylamino)isothiazole-4-carboxylic acid CAS Name: 3-(hexylthio)-5-[[(3-hydroxypropylamino)-oxomethyl]amino]-4-isothiazolecarboxylic acid IUPAC Name: 3-hexylsulfanyl-5-(3-hydroxypropylcarbamoylamino)-1,2-thiazole-4-carboxylic acid Traditional Name: 3-(hexylthio)-5-(3-hydroxypropylcarbamoylamino)isothiazole-4-carboxylic acid Formula: C14H23N3O4S2 MolecularWeight: 361.48012

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H23N3O4S2/c1-2-3-4-5-9-22-12-10(13(19)20)11(23-17-12)16-14(21)15-7-6-8-18/h18H,2-9H2,1H3,(H,19,20)(H2,15,16,21)