3-hexylsulfanyl-5-(2-pyrrolidin-1-ylethylcarbamoylamino)-1,2-thiazole-4-carboxylic acid

Systemtic Name: 3-hexylsulfanyl-5-(2-pyrrolidin-1-ylethylcarbamoylamino)-1,2-thiazole-4-carboxylic acid Openeye Name: 3-hexylsulfanyl-5-(2-pyrrolidin-1-ylethylcarbamoylamino)isothiazole-4-carboxylic acid CAS Name: 3-(hexylthio)-5-[[oxo-[2-(1-pyrrolidinyl)ethylamino]methyl]amino]-4-isothiazolecarboxylic acid IUPAC Name: 3-hexylsulfanyl-5-(2-pyrrolidin-1-ylethylcarbamoylamino)-1,2-thiazole-4-carboxylic acid Traditional Name: 3-(hexylthio)-5-(2-pyrrolidinoethylcarbamoylamino)isothiazole-4-carboxylic acid Formula: C17H28N4O3S2 MolecularWeight: 400.55922

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCSC1=NSC(=C1C(=O)O)NC(=O)NCCN2CCCC2

Isomeric SMILES

CCCCCCSC1=NSC(=C1C(=O)O)NC(=O)NCCN2CCCC2

InChI

InChI=1S/C17H28N4O3S2/c1-2-3-4-7-12-25-15-13(16(22)23)14(26-20-15)19-17(24)18-8-11-21-9-5-6-10-21/h2-12H2,1H3,(H,22,23)(H2,18,19,24)