tert-butyl 3-(1,3-benzothiazol-2-ylmethylcarbamoyl)piperidine-1-carboxylate

Systemtic Name: tert-butyl 3-(1,3-benzothiazol-2-ylmethylcarbamoyl)piperidine-1-carboxylate Openeye Name: tert-butyl 3-(1,3-benzothiazol-2-ylmethylcarbamoyl)piperidine-1-carboxylate CAS Name: 3-[(1,3-benzothiazol-2-ylmethylamino)-oxomethyl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 3-(1,3-benzothiazol-2-ylmethylcarbamoyl)piperidine-1-carboxylate Traditional Name: 3-(1,3-benzothiazol-2-ylmethylcarbamoyl)piperidine-1-carboxylic acid tert-butyl ester Formula: C19H25N3O3S MolecularWeight: 375.4851

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCCC(C1)C(=O)NCC2=NC3=CC=CC=C3S2

Isomeric SMILES

CC(C)(C)OC(=O)N1CCCC(C1)C(=O)NCC2=NC3=CC=CC=C3S2

InChI

InChI=1S/C19H25N3O3S/c1-19(2,3)25-18(24)22-10-6-7-13(12-22)17(23)20-11-16-21-14-8-4-5-9-15(14)26-16/h4-5,8-9,13H,6-7,10-12H2,1-3H3,(H,20,23)