3-heptoxy-5-[6-[4-(2-hydroxyethyl)piperazin-1-yl]hexylcarbamoylamino]-1,2-thiazole-4-carboxylic acid

Systemtic Name: 3-heptoxy-5-[6-[4-(2-hydroxyethyl)piperazin-1-yl]hexylcarbamoylamino]-1,2-thiazole-4-carboxylic acid Openeye Name: 3-heptoxy-5-[6-[4-(2-hydroxyethyl)piperazin-1-yl]hexylcarbamoylamino]isothiazole-4-carboxylic acid CAS Name: 3-heptoxy-5-[[[6-[4-(2-hydroxyethyl)-1-piperazinyl]hexylamino]-oxomethyl]amino]-4-isothiazolecarboxylic acid IUPAC Name: 3-heptoxy-5-[6-[4-(2-hydroxyethyl)piperazin-1-yl]hexylcarbamoylamino]-1,2-thiazole-4-carboxylic acid Traditional Name: 3-heptoxy-5-[6-[4-(2-hydroxyethyl)piperazino]hexylcarbamoylamino]isothiazole-4-carboxylic acid Formula: C24H43N5O5S MolecularWeight: 513.69372

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOC1=NSC(=C1C(=O)O)NC(=O)NCCCCCCN2CCN(CC2)CCO

Isomeric SMILES

CCCCCCCOC1=NSC(=C1C(=O)O)NC(=O)NCCCCCCN2CCN(CC2)CCO

InChI

InChI=1S/C24H43N5O5S/c1-2-3-4-7-10-19-34-21-20(23(31)32)22(35-27-21)26-24(33)25-11-8-5-6-9-12-28-13-15-29(16-14-28)17-18-30/h30H,2-19H2,1H3,(H,31,32)(H2,25,26,33)