1,3-benzothiazol-2-ylmethyl 1-(phenylcarbamoyl)piperidine-4-carboxylate

Systemtic Name: 1,3-benzothiazol-2-ylmethyl 1-(phenylcarbamoyl)piperidine-4-carboxylate Openeye Name: 1,3-benzothiazol-2-ylmethyl 1-(phenylcarbamoyl)piperidine-4-carboxylate CAS Name: 1-[anilino(oxo)methyl]-4-piperidinecarboxylic acid 1,3-benzothiazol-2-ylmethyl ester IUPAC Name: 1,3-benzothiazol-2-ylmethyl 1-(phenylcarbamoyl)piperidine-4-carboxylate Traditional Name: 1-(phenylcarbamoyl)isonipecotic acid 1,3-benzothiazol-2-ylmethyl ester Formula: C21H21N3O3S MolecularWeight: 395.47474

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)OCC2=NC3=CC=CC=C3S2)C(=O)NC4=CC=CC=C4

Isomeric SMILES

C1CN(CCC1C(=O)OCC2=NC3=CC=CC=C3S2)C(=O)NC4=CC=CC=C4

InChI

InChI=1S/C21H21N3O3S/c25-20(27-14-19-23-17-8-4-5-9-18(17)28-19)15-10-12-24(13-11-15)21(26)22-16-6-2-1-3-7-16/h1-9,15H,10-14H2,(H,22,26)