tert-butyl 4-[4-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]phenyl]carbonylpiperazine-1-carboxylate

Systemtic Name: tert-butyl 4-[4-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]phenyl]carbonylpiperazine-1-carboxylate Openeye Name: tert-butyl 4-[4-[(2-methylthiazol-4-yl)methylsulfanyl]benzoyl]piperazine-1-carboxylate CAS Name: 4-[[4-[(2-methyl-4-thiazolyl)methylthio]phenyl]-oxomethyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[4-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]benzoyl]piperazine-1-carboxylate Traditional Name: 4-[4-[(2-methylthiazol-4-yl)methylthio]benzoyl]piperazine-1-carboxylic acid tert-butyl ester Formula: C21H27N3O3S2 MolecularWeight: 433.58738

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=CS1)CSC2=CC=C(C=C2)C(=O)N3CCN(CC3)C(=O)OC(C)(C)C

Isomeric SMILES

CC1=NC(=CS1)CSC2=CC=C(C=C2)C(=O)N3CCN(CC3)C(=O)OC(C)(C)C

InChI

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