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

Systemtic Name: tert-butyl 4-[4-[(2-methylsulfanylphenyl)carbamoyl]-1,3-thiazol-2-yl]piperidine-1-carboxylate Openeye Name: tert-butyl 4-[4-[(2-methylsulfanylphenyl)carbamoyl]thiazol-2-yl]piperidine-1-carboxylate CAS Name: 4-[4-[[2-(methylthio)anilino]-oxomethyl]-2-thiazolyl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[4-[(2-methylsulfanylphenyl)carbamoyl]-1,3-thiazol-2-yl]piperidine-1-carboxylate Traditional Name: 4-[4-[[2-(methylthio)phenyl]carbamoyl]thiazol-2-yl]piperidine-1-carboxylic acid tert-butyl ester Formula: C21H27N3O3S2 MolecularWeight: 433.58738

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCC(CC1)C2=NC(=CS2)C(=O)NC3=CC=CC=C3SC

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC(CC1)C2=NC(=CS2)C(=O)NC3=CC=CC=C3SC

InChI

InChI=1S/C21H27N3O3S2/c1-21(2,3)27-20(26)24-11-9-14(10-12-24)19-23-16(13-29-19)18(25)22-15-7-5-6-8-17(15)28-4/h5-8,13-14H,9-12H2,1-4H3,(H,22,25)