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

Systemtic Name: 3-heptoxy-5-[5-[4-(2-hydroxyethyl)piperazin-1-yl]pentylcarbamoylamino]-1,2-thiazole-4-carboxylic acid Openeye Name: 3-heptoxy-5-[5-[4-(2-hydroxyethyl)piperazin-1-yl]pentylcarbamoylamino]isothiazole-4-carboxylic acid CAS Name: 3-heptoxy-5-[[[5-[4-(2-hydroxyethyl)-1-piperazinyl]pentylamino]-oxomethyl]amino]-4-isothiazolecarboxylic acid IUPAC Name: 3-heptoxy-5-[5-[4-(2-hydroxyethyl)piperazin-1-yl]pentylcarbamoylamino]-1,2-thiazole-4-carboxylic acid Traditional Name: 3-heptoxy-5-[5-[4-(2-hydroxyethyl)piperazino]pentylcarbamoylamino]isothiazole-4-carboxylic acid Formula: C23H41N5O5S MolecularWeight: 499.66714

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOC1=NSC(=C1C(=O)O)NC(=O)NCCCCCN2CCN(CC2)CCO

Isomeric SMILES

CCCCCCCOC1=NSC(=C1C(=O)O)NC(=O)NCCCCCN2CCN(CC2)CCO

InChI

InChI=1S/C23H41N5O5S/c1-2-3-4-5-9-18-33-20-19(22(30)31)21(34-26-20)25-23(32)24-10-7-6-8-11-27-12-14-28(15-13-27)16-17-29/h29H,2-18H2,1H3,(H,30,31)(H2,24,25,32)