(2-tert-butyl-5-piperidin-1-yl-1,3-benzothiazol-6-yl) 1-carbamothioylpyrrolidine-2-carboxylate

Systemtic Name: (2-tert-butyl-5-piperidin-1-yl-1,3-benzothiazol-6-yl) 1-carbamothioylpyrrolidine-2-carboxylate Openeye Name: [2-tert-butyl-5-(1-piperidyl)-1,3-benzothiazol-6-yl] 1-carbamothioylpyrrolidine-2-carboxylate CAS Name: 1-carbamothioyl-2-pyrrolidinecarboxylic acid [2-tert-butyl-5-(1-piperidinyl)-1,3-benzothiazol-6-yl] ester IUPAC Name: (2-tert-butyl-5-piperidin-1-yl-1,3-benzothiazol-6-yl) 1-carbamothioylpyrrolidine-2-carboxylate Traditional Name: 1-thiocarbamoylpyrrolidine-2-carboxylic acid (2-tert-butyl-5-piperidino-1,3-benzothiazol-6-yl) ester Formula: C22H30N4O2S2 MolecularWeight: 446.6292

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NC2=CC(=C(C=C2S1)OC(=O)C3CCCN3C(=S)N)N4CCCCC4

Isomeric SMILES

CC(C)(C)C1=NC2=CC(=C(C=C2S1)OC(=O)C3CCCN3C(=S)N)N4CCCCC4

InChI

InChI=1S/C22H30N4O2S2/c1-22(2,3)20-24-14-12-16(25-9-5-4-6-10-25)17(13-18(14)30-20)28-19(27)15-8-7-11-26(15)21(23)29/h12-13,15H,4-11H2,1-3H3,(H2,23,29)