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

Systemtic Name: 3-hexylsulfanyl-5-(2-methylpropylcarbamoylamino)-1,2-thiazole-4-carboxylic acid Openeye Name: 3-hexylsulfanyl-5-(isobutylcarbamoylamino)isothiazole-4-carboxylic acid CAS Name: 3-(hexylthio)-5-[[(2-methylpropylamino)-oxomethyl]amino]-4-isothiazolecarboxylic acid IUPAC Name: 3-hexylsulfanyl-5-(2-methylpropylcarbamoylamino)-1,2-thiazole-4-carboxylic acid Traditional Name: 3-(hexylthio)-5-(isobutylcarbamoylamino)isothiazole-4-carboxylic acid Formula: C15H25N3O3S2 MolecularWeight: 359.5073

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCSC1=NSC(=C1C(=O)O)NC(=O)NCC(C)C

Isomeric SMILES

CCCCCCSC1=NSC(=C1C(=O)O)NC(=O)NCC(C)C

InChI

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