1-[(2-tert-butyl-5-piperidin-1-yl-1,3-benzothiazol-6-yl)amino]sulfanylcarbonylpyrrolidine-2-carboxylic acid

Systemtic Name: 1-[(2-tert-butyl-5-piperidin-1-yl-1,3-benzothiazol-6-yl)amino]sulfanylcarbonylpyrrolidine-2-carboxylic acid Openeye Name: 1-[[2-tert-butyl-5-(1-piperidyl)-1,3-benzothiazol-6-yl]amino]sulfanylcarbonylpyrrolidine-2-carboxylic acid CAS Name: 1-[[[[2-tert-butyl-5-(1-piperidinyl)-1,3-benzothiazol-6-yl]amino]thio]-oxomethyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[(2-tert-butyl-5-piperidin-1-yl-1,3-benzothiazol-6-yl)amino]sulfanylcarbonylpyrrolidine-2-carboxylic acid Traditional Name: 1-[[(2-tert-butyl-5-piperidino-1,3-benzothiazol-6-yl)amino]thio]carbonylproline Formula: C22H30N4O3S2 MolecularWeight: 462.6286

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NC2=CC(=C(C=C2S1)NSC(=O)N3CCCC3C(=O)O)N4CCCCC4

Isomeric SMILES

CC(C)(C)C1=NC2=CC(=C(C=C2S1)NSC(=O)N3CCCC3C(=O)O)N4CCCCC4

InChI

InChI=1S/C22H30N4O3S2/c1-22(2,3)20-23-15-12-17(25-9-5-4-6-10-25)14(13-18(15)30-20)24-31-21(29)26-11-7-8-16(26)19(27)28/h12-13,16,24H,4-11H2,1-3H3,(H,27,28)