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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1(CN(CCN1C(=O)OC(C)(C)C)C2=CC=C(C=C2)N=C=S)C

Isomeric SMILES

CC1(CN(CCN1C(=O)OC(C)(C)C)C2=CC=C(C=C2)N=C=S)C

InChI

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