tert-butyl 4-[(6-chloranyl-1,3-benzothiazol-2-yl)carbamoyl]piperidine-1-carboxylate

Systemtic Name: tert-butyl 4-[(6-chloranyl-1,3-benzothiazol-2-yl)carbamoyl]piperidine-1-carboxylate Openeye Name: tert-butyl 4-[(6-chloro-1,3-benzothiazol-2-yl)carbamoyl]piperidine-1-carboxylate CAS Name: 4-[[(6-chloro-1,3-benzothiazol-2-yl)amino]-oxomethyl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[(6-chloro-1,3-benzothiazol-2-yl)carbamoyl]piperidine-1-carboxylate Traditional Name: 4-[(6-chloro-1,3-benzothiazol-2-yl)carbamoyl]piperidine-1-carboxylic acid tert-butyl ester Formula: C18H22ClN3O3S MolecularWeight: 395.90358

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCC(CC1)C(=O)NC2=NC3=C(S2)C=C(C=C3)Cl

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC(CC1)C(=O)NC2=NC3=C(S2)C=C(C=C3)Cl

InChI

InChI=1S/C18H22ClN3O3S/c1-18(2,3)25-17(24)22-8-6-11(7-9-22)15(23)21-16-20-13-5-4-12(19)10-14(13)26-16/h4-5,10-11H,6-9H2,1-3H3,(H,20,21,23)