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

Systemtic Name: 5-(2-methylpropylcarbamoylamino)-3-pentylsulfanyl-1,2-thiazole-4-carboxylic acid Openeye Name: 5-(isobutylcarbamoylamino)-3-pentylsulfanyl-isothiazole-4-carboxylic acid CAS Name: 5-[[(2-methylpropylamino)-oxomethyl]amino]-3-(pentylthio)-4-isothiazolecarboxylic acid IUPAC Name: 5-(2-methylpropylcarbamoylamino)-3-pentylsulfanyl-1,2-thiazole-4-carboxylic acid Traditional Name: 3-(amylthio)-5-(isobutylcarbamoylamino)isothiazole-4-carboxylic acid Formula: C14H23N3O3S2 MolecularWeight: 345.48072

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCSC1=NSC(=C1C(=O)O)NC(=O)NCC(C)C

Isomeric SMILES

CCCCCSC1=NSC(=C1C(=O)O)NC(=O)NCC(C)C

InChI

InChI=1S/C14H23N3O3S2/c1-4-5-6-7-21-12-10(13(18)19)11(22-17-12)16-14(20)15-8-9(2)3/h9H,4-8H2,1-3H3,(H,18,19)(H2,15,16,20)