tert-butyl 4-naphthalen-1-ylcarbonyl-2-(2-phenylsulfanylethyl)piperazine-1-carboxylate

Systemtic Name: tert-butyl 4-naphthalen-1-ylcarbonyl-2-(2-phenylsulfanylethyl)piperazine-1-carboxylate Openeye Name: tert-butyl 4-(naphthalene-1-carbonyl)-2-(2-phenylsulfanylethyl)piperazine-1-carboxylate CAS Name: 4-[1-naphthalenyl(oxo)methyl]-2-[2-(phenylthio)ethyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-(naphthalene-1-carbonyl)-2-(2-phenylsulfanylethyl)piperazine-1-carboxylate Traditional Name: 4-(1-naphthoyl)-2-[2-(phenylthio)ethyl]piperazine-1-carboxylic acid tert-butyl ester Formula: C28H32N2O3S MolecularWeight: 476.63028

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCN(CC1CCSC2=CC=CC=C2)C(=O)C3=CC=CC4=CC=CC=C43

Isomeric SMILES

CC(C)(C)OC(=O)N1CCN(CC1CCSC2=CC=CC=C2)C(=O)C3=CC=CC4=CC=CC=C43

InChI

InChI=1S/C28H32N2O3S/c1-28(2,3)33-27(32)30-18-17-29(20-22(30)16-19-34-23-12-5-4-6-13-23)26(31)25-15-9-11-21-10-7-8-14-24(21)25/h4-15,22H,16-20H2,1-3H3