3-cyclohexylsulfanyl-5-(methylcarbamoylamino)-1,2-thiazole-4-carboxylic acid

Systemtic Name: 3-cyclohexylsulfanyl-5-(methylcarbamoylamino)-1,2-thiazole-4-carboxylic acid Openeye Name: 3-cyclohexylsulfanyl-5-(methylcarbamoylamino)isothiazole-4-carboxylic acid CAS Name: 3-(cyclohexylthio)-5-(methylcarbamoylamino)-4-isothiazolecarboxylic acid IUPAC Name: 3-cyclohexylsulfanyl-5-(methylcarbamoylamino)-1,2-thiazole-4-carboxylic acid Traditional Name: 3-(cyclohexylthio)-5-(methylcarbamoylamino)isothiazole-4-carboxylic acid Formula: C12H17N3O3S2 MolecularWeight: 315.41168

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)NC1=C(C(=NS1)SC2CCCCC2)C(=O)O

Isomeric SMILES

CNC(=O)NC1=C(C(=NS1)SC2CCCCC2)C(=O)O

InChI

InChI=1S/C12H17N3O3S2/c1-13-12(18)14-9-8(11(16)17)10(15-20-9)19-7-5-3-2-4-6-7/h7H,2-6H2,1H3,(H,16,17)(H2,13,14,18)