2-thiophen-2-ylethyl 4-[(2-tert-butylsulfanylphenyl)methyl]piperazine-1-carboxylate

Systemtic Name: 2-thiophen-2-ylethyl 4-[(2-tert-butylsulfanylphenyl)methyl]piperazine-1-carboxylate Openeye Name: 2-(2-thienyl)ethyl 4-[(2-tert-butylsulfanylphenyl)methyl]piperazine-1-carboxylate CAS Name: 4-[[2-(tert-butylthio)phenyl]methyl]-1-piperazinecarboxylic acid 2-thiophen-2-ylethyl ester IUPAC Name: 2-thiophen-2-ylethyl 4-[(2-tert-butylsulfanylphenyl)methyl]piperazine-1-carboxylate Traditional Name: 4-[2-(tert-butylthio)benzyl]piperazine-1-carboxylic acid 2-(2-thienyl)ethyl ester Formula: C22H30N2O2S2 MolecularWeight: 418.6158

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)SC1=CC=CC=C1CN2CCN(CC2)C(=O)OCCC3=CC=CS3

Isomeric SMILES

CC(C)(C)SC1=CC=CC=C1CN2CCN(CC2)C(=O)OCCC3=CC=CS3

InChI

InChI=1S/C22H30N2O2S2/c1-22(2,3)28-20-9-5-4-7-18(20)17-23-11-13-24(14-12-23)21(25)26-15-10-19-8-6-16-27-19/h4-9,16H,10-15,17H2,1-3H3