tert-butyl 4-[4-[[(1-methylpyrrol-2-yl)carbonylamino]carbamoyl]-1,3-thiazol-2-yl]piperidine-1-carboxylate

Systemtic Name: tert-butyl 4-[4-[[(1-methylpyrrol-2-yl)carbonylamino]carbamoyl]-1,3-thiazol-2-yl]piperidine-1-carboxylate Openeye Name: tert-butyl 4-[4-[[(1-methylpyrrole-2-carbonyl)amino]carbamoyl]thiazol-2-yl]piperidine-1-carboxylate CAS Name: 4-[4-[[[(1-methyl-2-pyrrolyl)-oxomethyl]hydrazo]-oxomethyl]-2-thiazolyl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[4-[[(1-methylpyrrole-2-carbonyl)amino]carbamoyl]-1,3-thiazol-2-yl]piperidine-1-carboxylate Traditional Name: 4-[4-[[(1-methylpyrrole-2-carbonyl)amino]carbamoyl]thiazol-2-yl]piperidine-1-carboxylic acid tert-butyl ester Formula: C20H27N5O4S MolecularWeight: 433.52448

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCC(CC1)C2=NC(=CS2)C(=O)NNC(=O)C3=CC=CN3C

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC(CC1)C2=NC(=CS2)C(=O)NNC(=O)C3=CC=CN3C

InChI

InChI=1S/C20H27N5O4S/c1-20(2,3)29-19(28)25-10-7-13(8-11-25)18-21-14(12-30-18)16(26)22-23-17(27)15-6-5-9-24(15)4/h5-6,9,12-13H,7-8,10-11H2,1-4H3,(H,22,26)(H,23,27)