5-(butylcarbamoylamino)-3-pentylsulfanyl-1,2-thiazole-4-carboxylic acid

Systemtic Name: 5-(butylcarbamoylamino)-3-pentylsulfanyl-1,2-thiazole-4-carboxylic acid Openeye Name: 5-(butylcarbamoylamino)-3-pentylsulfanyl-isothiazole-4-carboxylic acid CAS Name: 5-[[butylamino(oxo)methyl]amino]-3-(pentylthio)-4-isothiazolecarboxylic acid IUPAC Name: 5-(butylcarbamoylamino)-3-pentylsulfanyl-1,2-thiazole-4-carboxylic acid Traditional Name: 3-(amylthio)-5-(butylcarbamoylamino)isothiazole-4-carboxylic acid Formula: C14H23N3O3S2 MolecularWeight: 345.48072

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCSC1=NSC(=C1C(=O)O)NC(=O)NCCCC

Isomeric SMILES

CCCCCSC1=NSC(=C1C(=O)O)NC(=O)NCCCC

InChI

InChI=1S/C14H23N3O3S2/c1-3-5-7-9-21-12-10(13(18)19)11(22-17-12)16-14(20)15-8-6-4-2/h3-9H2,1-2H3,(H,18,19)(H2,15,16,20)