tert-butyl 4-[[2-[(4-methoxycarbonylphenyl)amino]-1,3-thiazol-4-yl]methyl]piperazine-1-carboxylate

Systemtic Name: tert-butyl 4-[[2-[(4-methoxycarbonylphenyl)amino]-1,3-thiazol-4-yl]methyl]piperazine-1-carboxylate Openeye Name: tert-butyl 4-[[2-(4-methoxycarbonylanilino)thiazol-4-yl]methyl]piperazine-1-carboxylate CAS Name: 4-[[2-(4-methoxycarbonylanilino)-4-thiazolyl]methyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[[2-(4-methoxycarbonylanilino)-1,3-thiazol-4-yl]methyl]piperazine-1-carboxylate Traditional Name: 4-[[2-(4-carbomethoxyanilino)thiazol-4-yl]methyl]piperazine-1-carboxylic acid tert-butyl ester Formula: C21H28N4O4S MolecularWeight: 432.53642

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCN(CC1)CC2=CSC(=N2)NC3=CC=C(C=C3)C(=O)OC

Isomeric SMILES

CC(C)(C)OC(=O)N1CCN(CC1)CC2=CSC(=N2)NC3=CC=C(C=C3)C(=O)OC

InChI

InChI=1S/C21H28N4O4S/c1-21(2,3)29-20(27)25-11-9-24(10-12-25)13-17-14-30-19(23-17)22-16-7-5-15(6-8-16)18(26)28-4/h5-8,14H,9-13H2,1-4H3,(H,22,23)