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

Systemtic Name: 5-(3-methylbutylcarbamoylamino)-3-pentylsulfanyl-1,2-thiazole-4-carboxylic acid Openeye Name: 5-(isopentylcarbamoylamino)-3-pentylsulfanyl-isothiazole-4-carboxylic acid CAS Name: 5-[[(3-methylbutylamino)-oxomethyl]amino]-3-(pentylthio)-4-isothiazolecarboxylic acid IUPAC Name: 5-(3-methylbutylcarbamoylamino)-3-pentylsulfanyl-1,2-thiazole-4-carboxylic acid Traditional Name: 3-(amylthio)-5-(isoamylcarbamoylamino)isothiazole-4-carboxylic acid Formula: C15H25N3O3S2 MolecularWeight: 359.5073

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H25N3O3S2/c1-4-5-6-9-22-13-11(14(19)20)12(23-18-13)17-15(21)16-8-7-10(2)3/h10H,4-9H2,1-3H3,(H,19,20)(H2,16,17,21)