tert-butyl 3-[2-(1,2-benzothiazol-3-ylamino)ethylcarbamoyl]piperidine-1-carboxylate

Systemtic Name: tert-butyl 3-[2-(1,2-benzothiazol-3-ylamino)ethylcarbamoyl]piperidine-1-carboxylate Openeye Name: tert-butyl 3-[2-(1,2-benzothiazol-3-ylamino)ethylcarbamoyl]piperidine-1-carboxylate CAS Name: 3-[[2-(1,2-benzothiazol-3-ylamino)ethylamino]-oxomethyl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 3-[2-(1,2-benzothiazol-3-ylamino)ethylcarbamoyl]piperidine-1-carboxylate Traditional Name: 3-[2-(1,2-benzothiazol-3-ylamino)ethylcarbamoyl]piperidine-1-carboxylic acid tert-butyl ester Formula: C20H28N4O3S MolecularWeight: 404.52632

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCCC(C1)C(=O)NCCNC2=NSC3=CC=CC=C32

Isomeric SMILES

CC(C)(C)OC(=O)N1CCCC(C1)C(=O)NCCNC2=NSC3=CC=CC=C32

InChI

InChI=1S/C20H28N4O3S/c1-20(2,3)27-19(26)24-12-6-7-14(13-24)18(25)22-11-10-21-17-15-8-4-5-9-16(15)28-23-17/h4-5,8-9,14H,6-7,10-13H2,1-3H3,(H,21,23)(H,22,25)