tert-butyl (2S,6R)-4-(4-isothiocyanatophenyl)-2,6-dimethyl-piperazine-1-carboxylate

Systemtic Name: tert-butyl (2S,6R)-4-(4-isothiocyanatophenyl)-2,6-dimethyl-piperazine-1-carboxylate Openeye Name: tert-butyl (2S,6R)-4-(4-isothiocyanatophenyl)-2,6-dimethyl-piperazine-1-carboxylate CAS Name: (2S,6R)-4-(4-isothiocyanatophenyl)-2,6-dimethyl-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl (2S,6R)-4-(4-isothiocyanatophenyl)-2,6-dimethylpiperazine-1-carboxylate Traditional Name: (2S,6R)-4-(4-isothiocyanatophenyl)-2,6-dimethyl-piperazine-1-carboxylic acid tert-butyl ester Formula: C18H25N3O2S MolecularWeight: 347.475

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CC(N1C(=O)OC(C)(C)C)C)C2=CC=C(C=C2)N=C=S

Isomeric SMILES

C[C@@H]1CN(C[C@@H](N1C(=O)OC(C)(C)C)C)C2=CC=C(C=C2)N=C=S

InChI

InChI=1S/C18H25N3O2S/c1-13-10-20(16-8-6-15(7-9-16)19-12-24)11-14(2)21(13)17(22)23-18(3,4)5/h6-9,13-14H,10-11H2,1-5H3/t13-,14+