5-[2-(1H-imidazol-5-yl)ethylcarbamoylamino]-3-pentylsulfanyl-1,2-thiazole-4-carboxylic acid

Systemtic Name: 5-[2-(1H-imidazol-5-yl)ethylcarbamoylamino]-3-pentylsulfanyl-1,2-thiazole-4-carboxylic acid Openeye Name: 5-[2-(1H-imidazol-5-yl)ethylcarbamoylamino]-3-pentylsulfanyl-isothiazole-4-carboxylic acid CAS Name: 5-[[[2-(1H-imidazol-5-yl)ethylamino]-oxomethyl]amino]-3-(pentylthio)-4-isothiazolecarboxylic acid IUPAC Name: 5-[2-(1H-imidazol-5-yl)ethylcarbamoylamino]-3-pentylsulfanyl-1,2-thiazole-4-carboxylic acid Traditional Name: 3-(amylthio)-5-[2-(1H-imidazol-5-yl)ethylcarbamoylamino]isothiazole-4-carboxylic acid Formula: C15H21N5O3S2 MolecularWeight: 383.48894

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCSC1=NSC(=C1C(=O)O)NC(=O)NCCC2=CN=CN2

Isomeric SMILES

CCCCCSC1=NSC(=C1C(=O)O)NC(=O)NCCC2=CN=CN2

InChI

InChI=1S/C15H21N5O3S2/c1-2-3-4-7-24-13-11(14(21)22)12(25-20-13)19-15(23)17-6-5-10-8-16-9-18-10/h8-9H,2-7H2,1H3,(H,16,18)(H,21,22)(H2,17,19,23)