tert-butyl 4-[(4-phenacyloxyphenyl)methoxycarbothioyl]piperazine-1-carboxylate

Systemtic Name: tert-butyl 4-[(4-phenacyloxyphenyl)methoxycarbothioyl]piperazine-1-carboxylate Openeye Name: tert-butyl 4-[(4-phenacyloxyphenyl)methoxycarbothioyl]piperazine-1-carboxylate CAS Name: 4-[(4-phenacyloxyphenyl)methoxy-sulfanylidenemethyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[(4-phenacyloxyphenyl)methoxycarbothioyl]piperazine-1-carboxylate Traditional Name: 4-(4-phenacyloxybenzyl)oxycarbothioylpiperazine-1-carboxylic acid tert-butyl ester Formula: C25H30N2O5S MolecularWeight: 470.5811

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCN(CC1)C(=S)OCC2=CC=C(C=C2)OCC(=O)C3=CC=CC=C3

Isomeric SMILES

CC(C)(C)OC(=O)N1CCN(CC1)C(=S)OCC2=CC=C(C=C2)OCC(=O)C3=CC=CC=C3

InChI

InChI=1S/C25H30N2O5S/c1-25(2,3)32-23(29)26-13-15-27(16-14-26)24(33)31-17-19-9-11-21(12-10-19)30-18-22(28)20-7-5-4-6-8-20/h4-12H,13-18H2,1-3H3