3-(4-chloranylbutylsulfanyl)-5-(dimethylcarbamoylamino)-1,2-thiazole-4-carboxylic acid

Systemtic Name: 3-(4-chloranylbutylsulfanyl)-5-(dimethylcarbamoylamino)-1,2-thiazole-4-carboxylic acid Openeye Name: 3-(4-chlorobutylsulfanyl)-5-(dimethylcarbamoylamino)isothiazole-4-carboxylic acid CAS Name: 3-(4-chlorobutylthio)-5-[[dimethylamino(oxo)methyl]amino]-4-isothiazolecarboxylic acid IUPAC Name: 3-(4-chlorobutylsulfanyl)-5-(dimethylcarbamoylamino)-1,2-thiazole-4-carboxylic acid Traditional Name: 3-(4-chlorobutylthio)-5-(dimethylcarbamoylamino)isothiazole-4-carboxylic acid Formula: C11H16ClN3O3S2 MolecularWeight: 337.84604

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C(=O)NC1=C(C(=NS1)SCCCCCl)C(=O)O

Isomeric SMILES

CN(C)C(=O)NC1=C(C(=NS1)SCCCCCl)C(=O)O

InChI

InChI=1S/C11H16ClN3O3S2/c1-15(2)11(18)13-8-7(10(16)17)9(14-20-8)19-6-4-3-5-12/h3-6H2,1-2H3,(H,13,18)(H,16,17)