tert-butyl 4-[4-[(2-methylsulfanylphenyl)methylcarbamoyl]-1,3-thiazol-2-yl]piperidine-1-carboxylate

Systemtic Name: tert-butyl 4-[4-[(2-methylsulfanylphenyl)methylcarbamoyl]-1,3-thiazol-2-yl]piperidine-1-carboxylate Openeye Name: tert-butyl 4-[4-[(2-methylsulfanylphenyl)methylcarbamoyl]thiazol-2-yl]piperidine-1-carboxylate CAS Name: 4-[4-[[[2-(methylthio)phenyl]methylamino]-oxomethyl]-2-thiazolyl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[4-[(2-methylsulfanylphenyl)methylcarbamoyl]-1,3-thiazol-2-yl]piperidine-1-carboxylate Traditional Name: 4-[4-[[2-(methylthio)benzyl]carbamoyl]thiazol-2-yl]piperidine-1-carboxylic acid tert-butyl ester Formula: C22H29N3O3S2 MolecularWeight: 447.61396

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCC(CC1)C2=NC(=CS2)C(=O)NCC3=CC=CC=C3SC

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC(CC1)C2=NC(=CS2)C(=O)NCC3=CC=CC=C3SC

InChI

InChI=1S/C22H29N3O3S2/c1-22(2,3)28-21(27)25-11-9-15(10-12-25)20-24-17(14-30-20)19(26)23-13-16-7-5-6-8-18(16)29-4/h5-8,14-15H,9-13H2,1-4H3,(H,23,26)